21,21-dimethyl-17-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;21,21-dimethyl-17-[3-[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene

C122H82 — CID 159352968

IUPAC21,21-dimethyl-17-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;21,21-dimethyl-17-[3-[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]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(-c3cccc(-c4c5ccccc5c(-c5ccc(-c6ccc7ccccc7c6)cc5)c5ccccc45)c3)cc2-c2c1c1ccccc1c1ccccc21.CC1(C)c2ccc(-c3cccc(-c4c5ccccc5c(-c5cccc(-c6cc7ccccc7c7ccccc67)c5)c5ccccc45)c3)cc2-c2c1c1ccccc1c1ccccc21
InChIInChI=1S/C63H42.C59H40/c1-63(2)58-34-33-40(37-57(58)61-50-27-9-7-24-47(50)48-25-8-14-32-55(48)62(61)63)39-18-15-20-43(35-39)59-51-28-10-12-30-53(51)60(54-31-13-11-29-52(54)59)44-21-16-19-41(36-44)56-38-42-17-3-4-22-45(42)46-23-5-6-26-49(46)56;1-59(2)54-33-32-43(36-53(54)57-47-20-7-5-18-45(47)46-19-6-12-25-52(46)58(57)59)41-16-13-17-44(35-41)56-50-23-10-8-21-48(50)55(49-22-9-11-24-51(49)56)39-29-26-38(27-30-39)42-31-28-37-14-3-4-15-40(37)34-42/h3-38H,1-2H3;3-36H,1-2H3
InChIKeyLHOGPRCSOIBHSP-UHFFFAOYSA-N
MW1548.00 g/mol
LogP34.01
Rot. Bonds8

About 21,21-dimethyl-17-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;21,21-dimethyl-17-[3-[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene

21,21-dimethyl-17-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;21,21-dimethyl-17-[3-[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]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 159352968) has the molecular formula C122H82 and a molecular weight of 1548.00 g/mol. Its IUPAC name is 21,21-dimethyl-17-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;21,21-dimethyl-17-[3-[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]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 Name21,21-dimethyl-17-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;21,21-dimethyl-17-[3-[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]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 CID159352968
Molecular FormulaC122H82
Molecular Weight1548.00 g/mol
Exact Mass1546.64
IUPAC Name21,21-dimethyl-17-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;21,21-dimethyl-17-[3-[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]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(-c3cccc(-c4c5ccccc5c(-c5ccc(-c6ccc7ccccc7c6)cc5)c5ccccc45)c3)cc2-c2c1c1ccccc1c1ccccc21.CC1(C)c2ccc(-c3cccc(-c4c5ccccc5c(-c5cccc(-c6cc7ccccc7c7ccccc67)c5)c5ccccc45)c3)cc2-c2c1c1ccccc1c1ccccc21
InChIInChI=1S/C63H42.C59H40/c1-63(2)58-34-33-40(37-57(58)61-50-27-9-7-24-47(50)48-25-8-14-32-55(48)62(61)63)39-18-15-20-43(35-39)59-51-28-10-12-30-53(51)60(54-31-13-11-29-52(54)59)44-21-16-19-41(36-44)56-38-42-17-3-4-22-45(42)46-23-5-6-26-49(46)56;1-59(2)54-33-32-43(36-53(54)57-47-20-7-5-18-45(47)46-19-6-12-25-52(46)58(57)59)41-16-13-17-44(35-41)56-50-23-10-8-21-48(50)55(49-22-9-11-24-51(49)56)39-29-26-38(27-30-39)42-31-28-37-14-3-4-15-40(37)34-42/h3-38H,1-2H3;3-36H,1-2H3
InChIKeyLHOGPRCSOIBHSP-UHFFFAOYSA-N
XLogP34.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms122
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001548.00
LogP ≤ 534.01
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 21,21-dimethyl-17-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;21,21-dimethyl-17-[3-[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7,7-dimethyl-10-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene;7,7-dimethyl-10-[4-[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene
CID 161066800
17-(9,10-dinaphthalen-2-ylanthracen-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 140724653
21,21-dimethyl-17-[4-(10-phenanthren-3-ylanthracen-9-yl)phenyl]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 140724532
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-(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
7,7-dimethyl-10-[3-[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene
CID 140724765
21,21-dimethyl-18-[10-(3-naphthalen-2-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 160935676
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
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
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
7,7-dimethyl-10-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzo[c]fluorene;7,7-dimethyl-10-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene
CID 157086899
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

Frequently Asked Questions

What is the IUPAC name of 21,21-dimethyl-17-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;21,21-dimethyl-17-[3-[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]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 21,21-dimethyl-17-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;21,21-dimethyl-17-[3-[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]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 159352968) is 21,21-dimethyl-17-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;21,21-dimethyl-17-[3-[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]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 21,21-dimethyl-17-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;21,21-dimethyl-17-[3-[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]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 21,21-dimethyl-17-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;21,21-dimethyl-17-[3-[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]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(-c3cccc(-c4c5ccccc5c(-c5ccc(-c6ccc7ccccc7c6)cc5)c5ccccc45)c3)cc2-c2c1c1ccccc1c1ccccc21.CC1(C)c2ccc(-c3cccc(-c4c5ccccc5c(-c5cccc(-c6cc7ccccc7c7ccccc67)c5)c5ccccc45)c3)cc2-c2c1c1ccccc1c1ccccc21.
What is the InChIKey of 21,21-dimethyl-17-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;21,21-dimethyl-17-[3-[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]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 LHOGPRCSOIBHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42.C59H40/c1-63(2)58-34-33-40(37-57(58)61-50-27-9-7-24-47(50)48-25-8-14-32-55(48)62(61)63)39-18-15-20-43(35-39)59-51-28-10-12-30-53(51)60(54-31-13-11-29-52(54)59)44-21-16-19-41(36-44)56-38-42-17-3-4-22-45(42)46-23-5-6-26-49(46)56;1-59(2)54-33-32-43(36-53(54)57-47-20-7-5-18-45(47)46-19-6-12-25-52(46)58(57)59)41-16-13-17-44(35-41)56-50-23-10-8-21-48(50)55(49-22-9-11-24-51(49)56)39-29-26-38(27-30-39)42-31-28-37-14-3-4-15-40(37)34-42/h3-38H,1-2H3;3-36H,1-2H3.
What are the key properties of 21,21-dimethyl-17-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;21,21-dimethyl-17-[3-[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene?
21,21-dimethyl-17-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;21,21-dimethyl-17-[3-[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]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 1548.00 g/mol, XLogP of 34.01, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 21,21-dimethyl-17-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;21,21-dimethyl-17-[3-[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]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 159352968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).