12,12,20,20-tetramethyl-9-naphthalen-2-yl-16-phenyl-2-(4-phenylcyclohexa-2,4-dien-1-yl)heptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),21,23,25-tridecaene

C60H46 — CID 91079883

IUPAC12,12,20,20-tetramethyl-9-naphthalen-2-yl-16-phenyl-2-(4-phenylcyclohexa-2,4-dien-1-yl)heptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),21,23,25-tridecaene
SMILESCC1(C)c2ccccc2-c2cc3c(C4C=CC(c5ccccc5)=CC4)c4cc5c(cc4c(-c4ccccc4)c3cc21)C(C)(C)c1cc(-c2ccc3ccccc3c2)ccc1-5
InChIInChI=1S/C60H46/c1-59(2)53-22-14-13-21-45(53)47-33-49-51(35-55(47)59)57(40-18-9-6-10-19-40)52-36-56-48(34-50(52)58(49)41-26-23-39(24-27-41)37-15-7-5-8-16-37)46-30-29-44(32-54(46)60(56,3)4)43-28-25-38-17-11-12-20-42(38)31-43/h5-26,28-36,41H,27H2,1-4H3
InChIKeySPBDQXGBOSLWQQ-UHFFFAOYSA-N
MW767.03 g/mol
LogP16.22
Rot. Bonds4

About 12,12,20,20-tetramethyl-9-naphthalen-2-yl-16-phenyl-2-(4-phenylcyclohexa-2,4-dien-1-yl)heptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),21,23,25-tridecaene

12,12,20,20-tetramethyl-9-naphthalen-2-yl-16-phenyl-2-(4-phenylcyclohexa-2,4-dien-1-yl)heptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),21,23,25-tridecaene (PubChem CID 91079883) has the molecular formula C60H46 and a molecular weight of 767.03 g/mol. Its IUPAC name is 12,12,20,20-tetramethyl-9-naphthalen-2-yl-16-phenyl-2-(4-phenylcyclohexa-2,4-dien-1-yl)heptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),21,23,25-tridecaene.

Molecular Properties

Compound Name12,12,20,20-tetramethyl-9-naphthalen-2-yl-16-phenyl-2-(4-phenylcyclohexa-2,4-dien-1-yl)heptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),21,23,25-tridecaene
PubChem CID91079883
Molecular FormulaC60H46
Molecular Weight767.03 g/mol
Exact Mass766.36
IUPAC Name12,12,20,20-tetramethyl-9-naphthalen-2-yl-16-phenyl-2-(4-phenylcyclohexa-2,4-dien-1-yl)heptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),21,23,25-tridecaene
SMILESCC1(C)c2ccccc2-c2cc3c(C4C=CC(c5ccccc5)=CC4)c4cc5c(cc4c(-c4ccccc4)c3cc21)C(C)(C)c1cc(-c2ccc3ccccc3c2)ccc1-5
InChIInChI=1S/C60H46/c1-59(2)53-22-14-13-21-45(53)47-33-49-51(35-55(47)59)57(40-18-9-6-10-19-40)52-36-56-48(34-50(52)58(49)41-26-23-39(24-27-41)37-15-7-5-8-16-37)46-30-29-44(32-54(46)60(56,3)4)43-28-25-38-17-11-12-20-42(38)31-43/h5-26,28-36,41H,27H2,1-4H3
InChIKeySPBDQXGBOSLWQQ-UHFFFAOYSA-N
XLogP16.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.03
LogP ≤ 516.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 12,12,20,20-tetramethyl-9-naphthalen-2-yl-16-phenyl-2-(4-phenylcyclohexa-2,4-dien-1-yl)heptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),21,23,25-tridecaene with MolForge

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Related Compounds

10,10-dimethyl-17-naphthalen-2-yl-14,21-bis(4-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 58175422
14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-naphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 58175295
10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-phenylanthracene
CID 58323304
10,10-dimethyl-14,21-dinaphthalen-2-yl-18-phenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 123220350
9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 59195124
9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59195394
10-(9,9-dimethylfluoren-2-yl)-2,9-dinaphthalen-2-ylanthracene;2,10-diphenyl-9-(4-phenylphenyl)anthracene;2,9,10-tris(9,9-dimethylfluoren-2-yl)anthracene
CID 162071769
9,10-bis(4-phenylphenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,10-bis(4-phenylphenyl)anthracene;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene
CID 159520005
10,10-dimethyl-14,21-dinaphthalen-2-yl-7,17-diphenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene
CID 123577750
10,10-dimethyl-7,14,21-trinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene
CID 58175364
9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-10-phenylanthracene
CID 123170824
10,10-dimethyl-14,21-dinaphthalen-2-yl-7-(2-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene
CID 58175484

Frequently Asked Questions

What is the IUPAC name of 12,12,20,20-tetramethyl-9-naphthalen-2-yl-16-phenyl-2-(4-phenylcyclohexa-2,4-dien-1-yl)heptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),21,23,25-tridecaene?
The IUPAC name of 12,12,20,20-tetramethyl-9-naphthalen-2-yl-16-phenyl-2-(4-phenylcyclohexa-2,4-dien-1-yl)heptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),21,23,25-tridecaene (CID 91079883) is 12,12,20,20-tetramethyl-9-naphthalen-2-yl-16-phenyl-2-(4-phenylcyclohexa-2,4-dien-1-yl)heptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),21,23,25-tridecaene.
What is the SMILES notation for 12,12,20,20-tetramethyl-9-naphthalen-2-yl-16-phenyl-2-(4-phenylcyclohexa-2,4-dien-1-yl)heptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),21,23,25-tridecaene?
The canonical SMILES for 12,12,20,20-tetramethyl-9-naphthalen-2-yl-16-phenyl-2-(4-phenylcyclohexa-2,4-dien-1-yl)heptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),21,23,25-tridecaene is CC1(C)c2ccccc2-c2cc3c(C4C=CC(c5ccccc5)=CC4)c4cc5c(cc4c(-c4ccccc4)c3cc21)C(C)(C)c1cc(-c2ccc3ccccc3c2)ccc1-5.
What is the InChIKey of 12,12,20,20-tetramethyl-9-naphthalen-2-yl-16-phenyl-2-(4-phenylcyclohexa-2,4-dien-1-yl)heptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),21,23,25-tridecaene?
The InChIKey is SPBDQXGBOSLWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H46/c1-59(2)53-22-14-13-21-45(53)47-33-49-51(35-55(47)59)57(40-18-9-6-10-19-40)52-36-56-48(34-50(52)58(49)41-26-23-39(24-27-41)37-15-7-5-8-16-37)46-30-29-44(32-54(46)60(56,3)4)43-28-25-38-17-11-12-20-42(38)31-43/h5-26,28-36,41H,27H2,1-4H3.
What are the key properties of 12,12,20,20-tetramethyl-9-naphthalen-2-yl-16-phenyl-2-(4-phenylcyclohexa-2,4-dien-1-yl)heptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),21,23,25-tridecaene?
12,12,20,20-tetramethyl-9-naphthalen-2-yl-16-phenyl-2-(4-phenylcyclohexa-2,4-dien-1-yl)heptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),21,23,25-tridecaene has a molecular weight of 767.03 g/mol, XLogP of 16.22, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12,20,20-tetramethyl-9-naphthalen-2-yl-16-phenyl-2-(4-phenylcyclohexa-2,4-dien-1-yl)heptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),21,23,25-tridecaene is sourced from PubChem (CID 91079883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).