25,25-dimethyl-22-(10-naphthalen-2-ylanthracen-9-yl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-(10-phenanthren-9-ylanthracen-9-yl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-[10-(2-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-[10-(3-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-[10-(4-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene

C265H178 — CID 159897949

IUPAC25,25-dimethyl-22-(10-naphthalen-2-ylanthracen-9-yl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-(10-phenanthren-9-ylanthracen-9-yl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-[10-(2-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-[10-(3-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-[10-(4-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
SMILESCC1(C)c2cc(-c3c4ccccc4c(-c4cc5ccccc5c5ccccc45)c4ccccc34)c3ccccc3c2-c2c1c1ccccc1c1ccccc21.CC1(C)c2cc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4ccccc34)c3ccccc3c2-c2c1c1ccccc1c1ccccc21.CC1(C)c2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c3ccccc3c2-c2c1c1ccccc1c1ccccc21.CC1(C)c2cc(-c3c4ccccc4c(-c4cccc(-c5ccccc5)c4)c4ccccc34)c3ccccc3c2-c2c1c1ccccc1c1ccccc21.CC1(C)c2cc(-c3c4ccccc4c(-c4ccccc4-c4ccccc4)c4ccccc34)c3ccccc3c2-c2c1c1ccccc1c1ccccc21
InChIInChI=1S/C55H36.3C53H36.C51H34/c1-55(2)49-32-48(39-23-8-10-24-40(39)52(49)53-41-25-11-7-20-36(41)37-21-9-16-30-46(37)54(53)55)51-44-28-14-12-26-42(44)50(43-27-13-15-29-45(43)51)47-31-33-17-3-4-18-34(33)35-19-5-6-22-38(35)47;1-53(2)47-32-46(37-23-8-11-25-39(37)50(47)51-40-26-12-7-21-35(40)36-22-9-17-31-45(36)52(51)53)49-43-29-15-13-27-41(43)48(42-28-14-16-30-44(42)49)38-24-10-6-20-34(38)33-18-4-3-5-19-33;1-53(2)47-32-46(38-23-7-9-24-39(38)50(47)51-40-25-10-6-21-36(40)37-22-8-15-30-45(37)52(51)53)49-43-28-13-11-26-41(43)48(42-27-12-14-29-44(42)49)35-20-16-19-34(31-35)33-17-4-3-5-18-33;1-53(2)47-32-46(38-20-7-9-21-39(38)50(47)51-40-22-10-6-18-36(40)37-19-8-15-27-45(37)52(51)53)49-43-25-13-11-23-41(43)48(42-24-12-14-26-44(42)49)35-30-28-34(29-31-35)33-16-4-3-5-17-33;1-51(2)45-30-44(36-19-6-8-20-37(36)48(45)49-38-21-9-5-17-34(38)35-18-7-14-26-43(35)50(49)51)47-41-24-12-10-22-39(41)46(40-23-11-13-25-42(40)47)33-28-27-31-15-3-4-16-32(31)29-33/h3-32H,1-2H3;3*3-32H,1-2H3;3-30H,1-2H3
InChIKeyNVOWPBHHTBKOPW-UHFFFAOYSA-N
MW3362.34 g/mol
LogP73.93
Rot. Bonds13

About 25,25-dimethyl-22-(10-naphthalen-2-ylanthracen-9-yl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-(10-phenanthren-9-ylanthracen-9-yl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-[10-(2-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-[10-(3-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-[10-(4-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene

25,25-dimethyl-22-(10-naphthalen-2-ylanthracen-9-yl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-(10-phenanthren-9-ylanthracen-9-yl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-[10-(2-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-[10-(3-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-[10-(4-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene (PubChem CID 159897949) has the molecular formula C265H178 and a molecular weight of 3362.34 g/mol. Its IUPAC name is 25,25-dimethyl-22-(10-naphthalen-2-ylanthracen-9-yl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-(10-phenanthren-9-ylanthracen-9-yl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-[10-(2-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-[10-(3-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-[10-(4-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene.

Molecular Properties

Compound Name25,25-dimethyl-22-(10-naphthalen-2-ylanthracen-9-yl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-(10-phenanthren-9-ylanthracen-9-yl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-[10-(2-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-[10-(3-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-[10-(4-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
PubChem CID159897949
Molecular FormulaC265H178
Molecular Weight3362.34 g/mol
Exact Mass3359.39
IUPAC Name25,25-dimethyl-22-(10-naphthalen-2-ylanthracen-9-yl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-(10-phenanthren-9-ylanthracen-9-yl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-[10-(2-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-[10-(3-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-[10-(4-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
SMILESCC1(C)c2cc(-c3c4ccccc4c(-c4cc5ccccc5c5ccccc45)c4ccccc34)c3ccccc3c2-c2c1c1ccccc1c1ccccc21.CC1(C)c2cc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4ccccc34)c3ccccc3c2-c2c1c1ccccc1c1ccccc21.CC1(C)c2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c3ccccc3c2-c2c1c1ccccc1c1ccccc21.CC1(C)c2cc(-c3c4ccccc4c(-c4cccc(-c5ccccc5)c4)c4ccccc34)c3ccccc3c2-c2c1c1ccccc1c1ccccc21.CC1(C)c2cc(-c3c4ccccc4c(-c4ccccc4-c4ccccc4)c4ccccc34)c3ccccc3c2-c2c1c1ccccc1c1ccccc21
InChIInChI=1S/C55H36.3C53H36.C51H34/c1-55(2)49-32-48(39-23-8-10-24-40(39)52(49)53-41-25-11-7-20-36(41)37-21-9-16-30-46(37)54(53)55)51-44-28-14-12-26-42(44)50(43-27-13-15-29-45(43)51)47-31-33-17-3-4-18-34(33)35-19-5-6-22-38(35)47;1-53(2)47-32-46(37-23-8-11-25-39(37)50(47)51-40-26-12-7-21-35(40)36-22-9-17-31-45(36)52(51)53)49-43-29-15-13-27-41(43)48(42-28-14-16-30-44(42)49)38-24-10-6-20-34(38)33-18-4-3-5-19-33;1-53(2)47-32-46(38-23-7-9-24-39(38)50(47)51-40-25-10-6-21-36(40)37-22-8-15-30-45(37)52(51)53)49-43-28-13-11-26-41(43)48(42-27-12-14-29-44(42)49)35-20-16-19-34(31-35)33-17-4-3-5-18-33;1-53(2)47-32-46(38-20-7-9-21-39(38)50(47)51-40-22-10-6-18-36(40)37-19-8-15-27-45(37)52(51)53)49-43-25-13-11-23-41(43)48(42-24-12-14-26-44(42)49)35-30-28-34(29-31-35)33-16-4-3-5-17-33;1-51(2)45-30-44(36-19-6-8-20-37(36)48(45)49-38-21-9-5-17-34(38)35-18-7-14-26-43(35)50(49)51)47-41-24-12-10-22-39(41)46(40-23-11-13-25-42(40)47)33-28-27-31-15-3-4-16-32(31)29-33/h3-32H,1-2H3;3*3-32H,1-2H3;3-30H,1-2H3
InChIKeyNVOWPBHHTBKOPW-UHFFFAOYSA-N
XLogP73.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms265
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003362.34
LogP ≤ 573.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 25,25-dimethyl-22-(10-naphthalen-2-ylanthracen-9-yl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-(10-phenanthren-9-ylanthracen-9-yl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-[10-(2-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-[10-(3-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-[10-(4-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 25,25-dimethyl-22-(10-naphthalen-2-ylanthracen-9-yl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-(10-phenanthren-9-ylanthracen-9-yl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-[10-(2-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-[10-(3-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-[10-(4-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene?
The IUPAC name of 25,25-dimethyl-22-(10-naphthalen-2-ylanthracen-9-yl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-(10-phenanthren-9-ylanthracen-9-yl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-[10-(2-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-[10-(3-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-[10-(4-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene (CID 159897949) is 25,25-dimethyl-22-(10-naphthalen-2-ylanthracen-9-yl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-(10-phenanthren-9-ylanthracen-9-yl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-[10-(2-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-[10-(3-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-[10-(4-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene.
What is the SMILES notation for 25,25-dimethyl-22-(10-naphthalen-2-ylanthracen-9-yl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-(10-phenanthren-9-ylanthracen-9-yl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-[10-(2-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-[10-(3-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-[10-(4-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene?
The canonical SMILES for 25,25-dimethyl-22-(10-naphthalen-2-ylanthracen-9-yl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-(10-phenanthren-9-ylanthracen-9-yl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-[10-(2-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-[10-(3-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-[10-(4-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene is CC1(C)c2cc(-c3c4ccccc4c(-c4cc5ccccc5c5ccccc45)c4ccccc34)c3ccccc3c2-c2c1c1ccccc1c1ccccc21.CC1(C)c2cc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4ccccc34)c3ccccc3c2-c2c1c1ccccc1c1ccccc21.CC1(C)c2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c3ccccc3c2-c2c1c1ccccc1c1ccccc21.CC1(C)c2cc(-c3c4ccccc4c(-c4cccc(-c5ccccc5)c4)c4ccccc34)c3ccccc3c2-c2c1c1ccccc1c1ccccc21.CC1(C)c2cc(-c3c4ccccc4c(-c4ccccc4-c4ccccc4)c4ccccc34)c3ccccc3c2-c2c1c1ccccc1c1ccccc21.
What is the InChIKey of 25,25-dimethyl-22-(10-naphthalen-2-ylanthracen-9-yl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-(10-phenanthren-9-ylanthracen-9-yl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-[10-(2-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-[10-(3-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-[10-(4-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene?
The InChIKey is NVOWPBHHTBKOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36.3C53H36.C51H34/c1-55(2)49-32-48(39-23-8-10-24-40(39)52(49)53-41-25-11-7-20-36(41)37-21-9-16-30-46(37)54(53)55)51-44-28-14-12-26-42(44)50(43-27-13-15-29-45(43)51)47-31-33-17-3-4-18-34(33)35-19-5-6-22-38(35)47;1-53(2)47-32-46(37-23-8-11-25-39(37)50(47)51-40-26-12-7-21-35(40)36-22-9-17-31-45(36)52(51)53)49-43-29-15-13-27-41(43)48(42-28-14-16-30-44(42)49)38-24-10-6-20-34(38)33-18-4-3-5-19-33;1-53(2)47-32-46(38-23-7-9-24-39(38)50(47)51-40-25-10-6-21-36(40)37-22-8-15-30-45(37)52(51)53)49-43-28-13-11-26-41(43)48(42-27-12-14-29-44(42)49)35-20-16-19-34(31-35)33-17-4-3-5-18-33;1-53(2)47-32-46(38-20-7-9-21-39(38)50(47)51-40-22-10-6-18-36(40)37-19-8-15-27-45(37)52(51)53)49-43-25-13-11-23-41(43)48(42-24-12-14-26-44(42)49)35-30-28-34(29-31-35)33-16-4-3-5-17-33;1-51(2)45-30-44(36-19-6-8-20-37(36)48(45)49-38-21-9-5-17-34(38)35-18-7-14-26-43(35)50(49)51)47-41-24-12-10-22-39(41)46(40-23-11-13-25-42(40)47)33-28-27-31-15-3-4-16-32(31)29-33/h3-32H,1-2H3;3*3-32H,1-2H3;3-30H,1-2H3.
What are the key properties of 25,25-dimethyl-22-(10-naphthalen-2-ylanthracen-9-yl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-(10-phenanthren-9-ylanthracen-9-yl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-[10-(2-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-[10-(3-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-[10-(4-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene?
25,25-dimethyl-22-(10-naphthalen-2-ylanthracen-9-yl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-(10-phenanthren-9-ylanthracen-9-yl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-[10-(2-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-[10-(3-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-[10-(4-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene has a molecular weight of 3362.34 g/mol, XLogP of 73.93, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 25,25-dimethyl-22-(10-naphthalen-2-ylanthracen-9-yl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-(10-phenanthren-9-ylanthracen-9-yl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-[10-(2-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-[10-(3-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethyl-22-[10-(4-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene is sourced from PubChem (CID 159897949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).