12,12-dimethyl-8-(9-naphthalen-2-ylcarbazol-3-yl)-11-phenylindeno[2,1-a]carbazole

C49H34N2 — CID 121343398

IUPAC12,12-dimethyl-8-(9-naphthalen-2-ylcarbazol-3-yl)-11-phenylindeno[2,1-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccccc6c5)ccc4n(-c4ccccc4)c3c21
InChIInChI=1S/C49H34N2/c1-49(2)43-18-10-8-16-37(43)39-24-25-40-42-30-34(22-27-46(42)51(48(40)47(39)49)35-14-4-3-5-15-35)33-21-26-45-41(29-33)38-17-9-11-19-44(38)50(45)36-23-20-31-12-6-7-13-32(31)28-36/h3-30H,1-2H3
InChIKeyINYPOMOOMTVPED-UHFFFAOYSA-N
MW650.83 g/mol
LogP13.01
Rot. Bonds3

About 12,12-dimethyl-8-(9-naphthalen-2-ylcarbazol-3-yl)-11-phenylindeno[2,1-a]carbazole

12,12-dimethyl-8-(9-naphthalen-2-ylcarbazol-3-yl)-11-phenylindeno[2,1-a]carbazole (PubChem CID 121343398) has the molecular formula C49H34N2 and a molecular weight of 650.83 g/mol. Its IUPAC name is 12,12-dimethyl-8-(9-naphthalen-2-ylcarbazol-3-yl)-11-phenylindeno[2,1-a]carbazole.

Molecular Properties

Compound Name12,12-dimethyl-8-(9-naphthalen-2-ylcarbazol-3-yl)-11-phenylindeno[2,1-a]carbazole
PubChem CID121343398
Molecular FormulaC49H34N2
Molecular Weight650.83 g/mol
Exact Mass650.27
IUPAC Name12,12-dimethyl-8-(9-naphthalen-2-ylcarbazol-3-yl)-11-phenylindeno[2,1-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccccc6c5)ccc4n(-c4ccccc4)c3c21
InChIInChI=1S/C49H34N2/c1-49(2)43-18-10-8-16-37(43)39-24-25-40-42-30-34(22-27-46(42)51(48(40)47(39)49)35-14-4-3-5-15-35)33-21-26-45-41(29-33)38-17-9-11-19-44(38)50(45)36-23-20-31-12-6-7-13-32(31)28-36/h3-30H,1-2H3
InChIKeyINYPOMOOMTVPED-UHFFFAOYSA-N
XLogP13.01
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.83
LogP ≤ 513.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 130289398
12,12-dimethyl-11-naphthalen-1-yl-8-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-a]carbazole
CID 121344070
12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazole
CID 121287062
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 159796041
9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylcarbazol-3-yl]-6-naphthalen-2-ylcarbazole
CID 162081661
3-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9-(6-phenylnaphthalen-2-yl)carbazole;3-[4-[9-(6-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole
CID 160879378
7,7-dimethyl-3-(9-naphthalen-2-ylcarbazol-3-yl)-12-(3-phenylphenyl)indeno[1,2-a]carbazole;12,12-dimethyl-8-(9-naphthalen-2-yl-9H-fluoren-3-yl)-11-(3-phenylphenyl)indeno[2,1-a]carbazole
CID 157291315
6-(9-naphthalen-2-ylcarbazol-3-yl)-1,9-diphenylcarbazole
CID 170072336
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-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 58059187
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163801693
3-[9-(11,11-dimethylbenzo[b]fluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 176786074

Frequently Asked Questions

What is the IUPAC name of 12,12-dimethyl-8-(9-naphthalen-2-ylcarbazol-3-yl)-11-phenylindeno[2,1-a]carbazole?
The IUPAC name of 12,12-dimethyl-8-(9-naphthalen-2-ylcarbazol-3-yl)-11-phenylindeno[2,1-a]carbazole (CID 121343398) is 12,12-dimethyl-8-(9-naphthalen-2-ylcarbazol-3-yl)-11-phenylindeno[2,1-a]carbazole.
What is the SMILES notation for 12,12-dimethyl-8-(9-naphthalen-2-ylcarbazol-3-yl)-11-phenylindeno[2,1-a]carbazole?
The canonical SMILES for 12,12-dimethyl-8-(9-naphthalen-2-ylcarbazol-3-yl)-11-phenylindeno[2,1-a]carbazole is CC1(C)c2ccccc2-c2ccc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccccc6c5)ccc4n(-c4ccccc4)c3c21.
What is the InChIKey of 12,12-dimethyl-8-(9-naphthalen-2-ylcarbazol-3-yl)-11-phenylindeno[2,1-a]carbazole?
The InChIKey is INYPOMOOMTVPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N2/c1-49(2)43-18-10-8-16-37(43)39-24-25-40-42-30-34(22-27-46(42)51(48(40)47(39)49)35-14-4-3-5-15-35)33-21-26-45-41(29-33)38-17-9-11-19-44(38)50(45)36-23-20-31-12-6-7-13-32(31)28-36/h3-30H,1-2H3.
What are the key properties of 12,12-dimethyl-8-(9-naphthalen-2-ylcarbazol-3-yl)-11-phenylindeno[2,1-a]carbazole?
12,12-dimethyl-8-(9-naphthalen-2-ylcarbazol-3-yl)-11-phenylindeno[2,1-a]carbazole has a molecular weight of 650.83 g/mol, XLogP of 13.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-dimethyl-8-(9-naphthalen-2-ylcarbazol-3-yl)-11-phenylindeno[2,1-a]carbazole is sourced from PubChem (CID 121343398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).