11,11-dimethyl-3-[10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracen-9-yl]benzo[b]fluorene;21,21-dimethyl-17-[10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracen-9-yl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene

C112H78 — CID 162113284

IUPAC11,11-dimethyl-3-[10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracen-9-yl]benzo[b]fluorene;21,21-dimethyl-17-[10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracen-9-yl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
SMILESCC1(C)c2ccc(-c3c4ccccc4c(-c4ccc(C5C(c6ccccc6)=Cc6ccccc65)cc4)c4ccccc34)cc2-c2c1c1ccccc1c1ccccc21.CC1(C)c2ccc(-c3c4ccccc4c(-c4ccc(C5C(c6ccccc6)=Cc6ccccc65)cc4)c4ccccc34)cc2-c2cc3ccccc3cc21
InChIInChI=1S/C58H40.C54H38/c1-58(2)52-33-32-40(35-51(52)56-44-22-10-8-20-42(44)43-21-9-15-27-49(43)57(56)58)55-47-25-13-11-23-45(47)54(46-24-12-14-26-48(46)55)38-30-28-37(29-31-38)53-41-19-7-6-18-39(41)34-50(53)36-16-4-3-5-17-36;1-54(2)49-29-28-40(32-47(49)48-30-37-16-6-7-17-38(37)33-50(48)54)53-44-22-12-10-20-42(44)52(43-21-11-13-23-45(43)53)36-26-24-35(25-27-36)51-41-19-9-8-18-39(41)31-46(51)34-14-4-3-5-15-34/h3-35,53H,1-2H3;3-33,51H,1-2H3
InChIKeyZGKYSNGUSPANAC-UHFFFAOYSA-N
MW1423.86 g/mol
LogP30.10
Rot. Bonds8

About 11,11-dimethyl-3-[10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracen-9-yl]benzo[b]fluorene;21,21-dimethyl-17-[10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracen-9-yl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene

11,11-dimethyl-3-[10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracen-9-yl]benzo[b]fluorene;21,21-dimethyl-17-[10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracen-9-yl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene (PubChem CID 162113284) has the molecular formula C112H78 and a molecular weight of 1423.86 g/mol. Its IUPAC name is 11,11-dimethyl-3-[10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracen-9-yl]benzo[b]fluorene;21,21-dimethyl-17-[10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracen-9-yl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene.

Molecular Properties

Compound Name11,11-dimethyl-3-[10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracen-9-yl]benzo[b]fluorene;21,21-dimethyl-17-[10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracen-9-yl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
PubChem CID162113284
Molecular FormulaC112H78
Molecular Weight1423.86 g/mol
Exact Mass1422.61
IUPAC Name11,11-dimethyl-3-[10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracen-9-yl]benzo[b]fluorene;21,21-dimethyl-17-[10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracen-9-yl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
SMILESCC1(C)c2ccc(-c3c4ccccc4c(-c4ccc(C5C(c6ccccc6)=Cc6ccccc65)cc4)c4ccccc34)cc2-c2c1c1ccccc1c1ccccc21.CC1(C)c2ccc(-c3c4ccccc4c(-c4ccc(C5C(c6ccccc6)=Cc6ccccc65)cc4)c4ccccc34)cc2-c2cc3ccccc3cc21
InChIInChI=1S/C58H40.C54H38/c1-58(2)52-33-32-40(35-51(52)56-44-22-10-8-20-42(44)43-21-9-15-27-49(43)57(56)58)55-47-25-13-11-23-45(47)54(46-24-12-14-26-48(46)55)38-30-28-37(29-31-38)53-41-19-7-6-18-39(41)34-50(53)36-16-4-3-5-17-36;1-54(2)49-29-28-40(32-47(49)48-30-37-16-6-7-17-38(37)33-50(48)54)53-44-22-12-10-20-42(44)52(43-21-11-13-23-45(43)53)36-26-24-35(25-27-36)51-41-19-9-8-18-39(41)31-46(51)34-14-4-3-5-15-34/h3-35,53H,1-2H3;3-33,51H,1-2H3
InChIKeyZGKYSNGUSPANAC-UHFFFAOYSA-N
XLogP30.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001423.86
LogP ≤ 530.10
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 11,11-dimethyl-3-[10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracen-9-yl]benzo[b]fluorene;21,21-dimethyl-17-[10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracen-9-yl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene with MolForge

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Related Compounds

11,11-dimethyl-3-[10-(9-phenyl-9H-fluoren-3-yl)anthracen-9-yl]benzo[b]fluorene
CID 160532440
9-naphthalen-2-yl-10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracene
CID 123993670
11,11-dimethyl-3-[10-[4-(9-phenyl-9H-fluoren-3-yl)phenyl]anthracen-9-yl]benzo[b]fluorene
CID 159290426
21,21-dimethyl-17-[10-(9-phenyl-9H-fluoren-3-yl)anthracen-9-yl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 160532441
21,21-dimethyl-17-[10-(4-phenylphenyl)anthracen-9-yl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 140724573
17-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-21,21-dimethylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 159143787
25,25-dimethyl-5-[4-(10-phenylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene
CID 140725347
21,21-dimethyl-17-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 140724624
25,25-dimethyl-20-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
CID 140725846
21,21-dimethyl-17-(10-phenanthren-3-ylanthracen-9-yl)pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 140724763
11,11-dimethyl-3-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]benzo[b]fluorene
CID 156677070
11,11-dimethyl-3-(10-phenanthren-9-ylanthracen-9-yl)benzo[b]fluorene
CID 140724348

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-3-[10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracen-9-yl]benzo[b]fluorene;21,21-dimethyl-17-[10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracen-9-yl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene?
The IUPAC name of 11,11-dimethyl-3-[10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracen-9-yl]benzo[b]fluorene;21,21-dimethyl-17-[10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracen-9-yl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene (CID 162113284) is 11,11-dimethyl-3-[10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracen-9-yl]benzo[b]fluorene;21,21-dimethyl-17-[10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracen-9-yl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene.
What is the SMILES notation for 11,11-dimethyl-3-[10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracen-9-yl]benzo[b]fluorene;21,21-dimethyl-17-[10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracen-9-yl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene?
The canonical SMILES for 11,11-dimethyl-3-[10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracen-9-yl]benzo[b]fluorene;21,21-dimethyl-17-[10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracen-9-yl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene is CC1(C)c2ccc(-c3c4ccccc4c(-c4ccc(C5C(c6ccccc6)=Cc6ccccc65)cc4)c4ccccc34)cc2-c2c1c1ccccc1c1ccccc21.CC1(C)c2ccc(-c3c4ccccc4c(-c4ccc(C5C(c6ccccc6)=Cc6ccccc65)cc4)c4ccccc34)cc2-c2cc3ccccc3cc21.
What is the InChIKey of 11,11-dimethyl-3-[10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracen-9-yl]benzo[b]fluorene;21,21-dimethyl-17-[10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracen-9-yl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene?
The InChIKey is ZGKYSNGUSPANAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40.C54H38/c1-58(2)52-33-32-40(35-51(52)56-44-22-10-8-20-42(44)43-21-9-15-27-49(43)57(56)58)55-47-25-13-11-23-45(47)54(46-24-12-14-26-48(46)55)38-30-28-37(29-31-38)53-41-19-7-6-18-39(41)34-50(53)36-16-4-3-5-17-36;1-54(2)49-29-28-40(32-47(49)48-30-37-16-6-7-17-38(37)33-50(48)54)53-44-22-12-10-20-42(44)52(43-21-11-13-23-45(43)53)36-26-24-35(25-27-36)51-41-19-9-8-18-39(41)31-46(51)34-14-4-3-5-15-34/h3-35,53H,1-2H3;3-33,51H,1-2H3.
What are the key properties of 11,11-dimethyl-3-[10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracen-9-yl]benzo[b]fluorene;21,21-dimethyl-17-[10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracen-9-yl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene?
11,11-dimethyl-3-[10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracen-9-yl]benzo[b]fluorene;21,21-dimethyl-17-[10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracen-9-yl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene has a molecular weight of 1423.86 g/mol, XLogP of 30.10, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-3-[10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracen-9-yl]benzo[b]fluorene;21,21-dimethyl-17-[10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracen-9-yl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene is sourced from PubChem (CID 162113284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).