5-(3-carbazol-9-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole

C39H28N2 — CID 118502372

IUPAC5-(3-carbazol-9-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1cccc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C39H28N2/c1-39(2)32-18-7-3-14-27(32)30-22-23-36-37(38(30)39)31-17-6-10-21-35(31)41(36)26-13-11-12-25(24-26)40-33-19-8-4-15-28(33)29-16-5-9-20-34(29)40/h3-24H,1-2H3
InChIKeyLVOWVOICWMCAJK-UHFFFAOYSA-N
MW524.67 g/mol
LogP10.19
Rot. Bonds2

About 5-(3-carbazol-9-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole

5-(3-carbazol-9-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole (PubChem CID 118502372) has the molecular formula C39H28N2 and a molecular weight of 524.67 g/mol. Its IUPAC name is 5-(3-carbazol-9-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole.

Molecular Properties

Compound Name5-(3-carbazol-9-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole
PubChem CID118502372
Molecular FormulaC39H28N2
Molecular Weight524.67 g/mol
Exact Mass524.23
IUPAC Name5-(3-carbazol-9-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1cccc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C39H28N2/c1-39(2)32-18-7-3-14-27(32)30-22-23-36-37(38(30)39)31-17-6-10-21-35(31)41(36)26-13-11-12-25(24-26)40-33-19-8-4-15-28(33)29-16-5-9-20-34(29)40/h3-24H,1-2H3
InChIKeyLVOWVOICWMCAJK-UHFFFAOYSA-N
XLogP10.19
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.67
LogP ≤ 510.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[6-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)naphthalen-2-yl]-12,12-dimethylindeno[1,2-c]carbazole
CID 122548689
2,10-di(carbazol-9-yl)-12,12-dimethyl-5-phenylindeno[1,2-c]carbazole
CID 59147145
5-[3-[4,6-bis[4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-[4,6-bis[4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole
CID 158120881
3-(3-carbazol-9-yl-5-cyanophenyl)-5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile
CID 129290978
12,12-dimethyl-5-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indeno[1,2-c]carbazole
CID 169014734
5-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole
CID 160969457
5-[3-[2,6-bis[4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]pyrimidin-4-yl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole
CID 126630735
9-[3-(2-isocyano-12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]carbazole-3-carbonitrile
CID 140822973
12,12-dimethyl-5-[3-(2-phenylquinazolin-4-yl)phenyl]indeno[1,2-c]carbazole
CID 139422523
5-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole
CID 158364365
9-(3-fluoranthen-3-ylphenyl)-15,15-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
CID 118580975
9-(4-carbazol-9-ylphenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-3-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-(9-phenylcarbazol-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 158410726

Frequently Asked Questions

What is the IUPAC name of 5-(3-carbazol-9-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole?
The IUPAC name of 5-(3-carbazol-9-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole (CID 118502372) is 5-(3-carbazol-9-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole.
What is the SMILES notation for 5-(3-carbazol-9-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole?
The canonical SMILES for 5-(3-carbazol-9-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole is CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1cccc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 5-(3-carbazol-9-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole?
The InChIKey is LVOWVOICWMCAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28N2/c1-39(2)32-18-7-3-14-27(32)30-22-23-36-37(38(30)39)31-17-6-10-21-35(31)41(36)26-13-11-12-25(24-26)40-33-19-8-4-15-28(33)29-16-5-9-20-34(29)40/h3-24H,1-2H3.
What are the key properties of 5-(3-carbazol-9-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole?
5-(3-carbazol-9-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole has a molecular weight of 524.67 g/mol, XLogP of 10.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-carbazol-9-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole is sourced from PubChem (CID 118502372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).