11-[4-(3,5-diphenylphenyl)phenyl]-3-methoxy-12,12-dimethylindeno[2,1-a]carbazole

C46H35NO — CID 121287061

IUPAC11-[4-(3,5-diphenylphenyl)phenyl]-3-methoxy-12,12-dimethylindeno[2,1-a]carbazole
SMILESCOc1ccc2c(c1)-c1ccc3c4ccccc4n(-c4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cc4)c3c1C2(C)C
InChIInChI=1S/C46H35NO/c1-46(2)42-25-22-37(48-3)29-41(42)39-23-24-40-38-16-10-11-17-43(38)47(45(40)44(39)46)36-20-18-32(19-21-36)35-27-33(30-12-6-4-7-13-30)26-34(28-35)31-14-8-5-9-15-31/h4-29H,1-3H3
InChIKeyQXBJMZUOPIYDTM-UHFFFAOYSA-N
MW617.79 g/mol
LogP12.10
Rot. Bonds5

About 11-[4-(3,5-diphenylphenyl)phenyl]-3-methoxy-12,12-dimethylindeno[2,1-a]carbazole

11-[4-(3,5-diphenylphenyl)phenyl]-3-methoxy-12,12-dimethylindeno[2,1-a]carbazole (PubChem CID 121287061) has the molecular formula C46H35NO and a molecular weight of 617.79 g/mol. Its IUPAC name is 11-[4-(3,5-diphenylphenyl)phenyl]-3-methoxy-12,12-dimethylindeno[2,1-a]carbazole.

Molecular Properties

Compound Name11-[4-(3,5-diphenylphenyl)phenyl]-3-methoxy-12,12-dimethylindeno[2,1-a]carbazole
PubChem CID121287061
Molecular FormulaC46H35NO
Molecular Weight617.79 g/mol
Exact Mass617.27
IUPAC Name11-[4-(3,5-diphenylphenyl)phenyl]-3-methoxy-12,12-dimethylindeno[2,1-a]carbazole
SMILESCOc1ccc2c(c1)-c1ccc3c4ccccc4n(-c4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cc4)c3c1C2(C)C
InChIInChI=1S/C46H35NO/c1-46(2)42-25-22-37(48-3)29-41(42)39-23-24-40-38-16-10-11-17-43(38)47(45(40)44(39)46)36-20-18-32(19-21-36)35-27-33(30-12-6-4-7-13-30)26-34(28-35)31-14-8-5-9-15-31/h4-29H,1-3H3
InChIKeyQXBJMZUOPIYDTM-UHFFFAOYSA-N
XLogP12.10
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.79
LogP ≤ 512.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)phenyl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 67473689
11-[4-(3,5-diphenylphenyl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole;11-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 158828400
N-(4-carbazol-9-ylphenyl)-N-[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenylaniline
CID 66585182
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 58059187
12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazole
CID 121287062
N-[3-[3-[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118490399
11-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 67472124
3-[4-(3,5-diphenylphenyl)phenyl]-14,14-dimethyl-3-azahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene
CID 122464854
8-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 130289398
12,12-dimethyl-8-(9-naphthalen-2-ylcarbazol-3-yl)-11-phenylindeno[2,1-a]carbazole
CID 121343398
11-[3-[4,6-bis(3,5-diphenylphenyl)pyrimidin-2-yl]oxyphenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 118530590
2-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(9,9-dimethylfluoren-2-yl)-5-(9-methylcarbazol-2-yl)phenyl]phenyl]-9-methylcarbazole;2-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-2-yl)phenyl]phenyl]-9-phenylcarbazole;2-[3-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-5-(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-7-methoxy-9,9-dimethylfluorene
CID 157055090

Frequently Asked Questions

What is the IUPAC name of 11-[4-(3,5-diphenylphenyl)phenyl]-3-methoxy-12,12-dimethylindeno[2,1-a]carbazole?
The IUPAC name of 11-[4-(3,5-diphenylphenyl)phenyl]-3-methoxy-12,12-dimethylindeno[2,1-a]carbazole (CID 121287061) is 11-[4-(3,5-diphenylphenyl)phenyl]-3-methoxy-12,12-dimethylindeno[2,1-a]carbazole.
What is the SMILES notation for 11-[4-(3,5-diphenylphenyl)phenyl]-3-methoxy-12,12-dimethylindeno[2,1-a]carbazole?
The canonical SMILES for 11-[4-(3,5-diphenylphenyl)phenyl]-3-methoxy-12,12-dimethylindeno[2,1-a]carbazole is COc1ccc2c(c1)-c1ccc3c4ccccc4n(-c4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cc4)c3c1C2(C)C.
What is the InChIKey of 11-[4-(3,5-diphenylphenyl)phenyl]-3-methoxy-12,12-dimethylindeno[2,1-a]carbazole?
The InChIKey is QXBJMZUOPIYDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H35NO/c1-46(2)42-25-22-37(48-3)29-41(42)39-23-24-40-38-16-10-11-17-43(38)47(45(40)44(39)46)36-20-18-32(19-21-36)35-27-33(30-12-6-4-7-13-30)26-34(28-35)31-14-8-5-9-15-31/h4-29H,1-3H3.
What are the key properties of 11-[4-(3,5-diphenylphenyl)phenyl]-3-methoxy-12,12-dimethylindeno[2,1-a]carbazole?
11-[4-(3,5-diphenylphenyl)phenyl]-3-methoxy-12,12-dimethylindeno[2,1-a]carbazole has a molecular weight of 617.79 g/mol, XLogP of 12.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-(3,5-diphenylphenyl)phenyl]-3-methoxy-12,12-dimethylindeno[2,1-a]carbazole is sourced from PubChem (CID 121287061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).