9-[6-(3,4-dihydrocarbazol-9-yl)-9-(3-methylphenyl)-10-naphthalen-2-yl-2,3-dihydroanthracen-2-yl]-3,4-dihydrocarbazole

C55H42N2 — CID 70930491

IUPAC9-[6-(3,4-dihydrocarbazol-9-yl)-9-(3-methylphenyl)-10-naphthalen-2-yl-2,3-dihydroanthracen-2-yl]-3,4-dihydrocarbazole
SMILESCc1cccc(-c2c3c(c(-c4ccc5ccccc5c4)c4cc(-n5c6c(c7ccccc75)CCC=C6)ccc24)=CCC(n2c4c(c5ccccc52)CCC=C4)C=3)c1
InChIInChI=1S/C55H42N2/c1-35-13-12-16-38(31-35)54-46-29-27-41(57-52-23-10-6-19-44(52)45-20-7-11-24-53(45)57)34-49(46)55(39-26-25-36-14-2-3-15-37(36)32-39)47-30-28-40(33-48(47)54)56-50-21-8-4-17-42(50)43-18-5-9-22-51(43)56/h2-4,6,8-17,19,21-27,29-34,40H,5,7,18,20,28H2,1H3
InChIKeyQVYKILQYBYQFOD-UHFFFAOYSA-N
MW730.96 g/mol
LogP12.66
Rot. Bonds4

About 9-[6-(3,4-dihydrocarbazol-9-yl)-9-(3-methylphenyl)-10-naphthalen-2-yl-2,3-dihydroanthracen-2-yl]-3,4-dihydrocarbazole

9-[6-(3,4-dihydrocarbazol-9-yl)-9-(3-methylphenyl)-10-naphthalen-2-yl-2,3-dihydroanthracen-2-yl]-3,4-dihydrocarbazole (PubChem CID 70930491) has the molecular formula C55H42N2 and a molecular weight of 730.96 g/mol. Its IUPAC name is 9-[6-(3,4-dihydrocarbazol-9-yl)-9-(3-methylphenyl)-10-naphthalen-2-yl-2,3-dihydroanthracen-2-yl]-3,4-dihydrocarbazole.

Molecular Properties

Compound Name9-[6-(3,4-dihydrocarbazol-9-yl)-9-(3-methylphenyl)-10-naphthalen-2-yl-2,3-dihydroanthracen-2-yl]-3,4-dihydrocarbazole
PubChem CID70930491
Molecular FormulaC55H42N2
Molecular Weight730.96 g/mol
Exact Mass730.33
IUPAC Name9-[6-(3,4-dihydrocarbazol-9-yl)-9-(3-methylphenyl)-10-naphthalen-2-yl-2,3-dihydroanthracen-2-yl]-3,4-dihydrocarbazole
SMILESCc1cccc(-c2c3c(c(-c4ccc5ccccc5c4)c4cc(-n5c6c(c7ccccc75)CCC=C6)ccc24)=CCC(n2c4c(c5ccccc52)CCC=C4)C=3)c1
InChIInChI=1S/C55H42N2/c1-35-13-12-16-38(31-35)54-46-29-27-41(57-52-23-10-6-19-44(52)45-20-7-11-24-53(45)57)34-49(46)55(39-26-25-36-14-2-3-15-37(36)32-39)47-30-28-40(33-48(47)54)56-50-21-8-4-17-42(50)43-18-5-9-22-51(43)56/h2-4,6,8-17,19,21-27,29-34,40H,5,7,18,20,28H2,1H3
InChIKeyQVYKILQYBYQFOD-UHFFFAOYSA-N
XLogP12.66
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.96
LogP ≤ 512.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(6-triphenylen-2-ylnaphthalen-2-yl)-3,4-dihydrocarbazole
CID 123813680
9-[4-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,5-dimethylphenyl]phenyl]carbazole
CID 71097259
9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole
CID 123902449
N-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-3-methylphenyl]-N-phenylnaphthalen-2-amine
CID 71024477
9-(2,3-dihydrochrysen-2-yl)-3-(9-naphthalen-2-yl-7,8-dihydrocarbazol-3-yl)carbazole
CID 155471818
9-[4-[6-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 138614706
9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3-(9-phenyl-5,6-dihydrocarbazol-2-yl)carbazole
CID 155203911
6-[3-(4-methylphenyl)phenyl]-9-(3-phenylphenyl)-3,4-dihydrocarbazole
CID 144639948
9-[10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-1-yl-6-(1,2,5,6-tetrahydrocarbazol-9-yl)anthracen-2-yl]-3,4-dihydrocarbazole
CID 89110828
2-(6-carbazol-9-yl-3,4-dihydrocarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 170372272
9-[4-[10-(5,6-dihydrophenanthren-2-yl)-2,3-dihydroanthracen-9-yl]phenyl]carbazole
CID 70902526
9-(7-carbazol-9-yl-9,10-dinaphthalen-2-ylanthracen-2-yl)carbazole
CID 59220884

Frequently Asked Questions

What is the IUPAC name of 9-[6-(3,4-dihydrocarbazol-9-yl)-9-(3-methylphenyl)-10-naphthalen-2-yl-2,3-dihydroanthracen-2-yl]-3,4-dihydrocarbazole?
The IUPAC name of 9-[6-(3,4-dihydrocarbazol-9-yl)-9-(3-methylphenyl)-10-naphthalen-2-yl-2,3-dihydroanthracen-2-yl]-3,4-dihydrocarbazole (CID 70930491) is 9-[6-(3,4-dihydrocarbazol-9-yl)-9-(3-methylphenyl)-10-naphthalen-2-yl-2,3-dihydroanthracen-2-yl]-3,4-dihydrocarbazole.
What is the SMILES notation for 9-[6-(3,4-dihydrocarbazol-9-yl)-9-(3-methylphenyl)-10-naphthalen-2-yl-2,3-dihydroanthracen-2-yl]-3,4-dihydrocarbazole?
The canonical SMILES for 9-[6-(3,4-dihydrocarbazol-9-yl)-9-(3-methylphenyl)-10-naphthalen-2-yl-2,3-dihydroanthracen-2-yl]-3,4-dihydrocarbazole is Cc1cccc(-c2c3c(c(-c4ccc5ccccc5c4)c4cc(-n5c6c(c7ccccc75)CCC=C6)ccc24)=CCC(n2c4c(c5ccccc52)CCC=C4)C=3)c1.
What is the InChIKey of 9-[6-(3,4-dihydrocarbazol-9-yl)-9-(3-methylphenyl)-10-naphthalen-2-yl-2,3-dihydroanthracen-2-yl]-3,4-dihydrocarbazole?
The InChIKey is QVYKILQYBYQFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H42N2/c1-35-13-12-16-38(31-35)54-46-29-27-41(57-52-23-10-6-19-44(52)45-20-7-11-24-53(45)57)34-49(46)55(39-26-25-36-14-2-3-15-37(36)32-39)47-30-28-40(33-48(47)54)56-50-21-8-4-17-42(50)43-18-5-9-22-51(43)56/h2-4,6,8-17,19,21-27,29-34,40H,5,7,18,20,28H2,1H3.
What are the key properties of 9-[6-(3,4-dihydrocarbazol-9-yl)-9-(3-methylphenyl)-10-naphthalen-2-yl-2,3-dihydroanthracen-2-yl]-3,4-dihydrocarbazole?
9-[6-(3,4-dihydrocarbazol-9-yl)-9-(3-methylphenyl)-10-naphthalen-2-yl-2,3-dihydroanthracen-2-yl]-3,4-dihydrocarbazole has a molecular weight of 730.96 g/mol, XLogP of 12.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-(3,4-dihydrocarbazol-9-yl)-9-(3-methylphenyl)-10-naphthalen-2-yl-2,3-dihydroanthracen-2-yl]-3,4-dihydrocarbazole is sourced from PubChem (CID 70930491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).