2-[9-(2H-inden-1-yl)carbazol-3-yl]-11,11-dimethyl-5-naphthalen-2-ylindeno[1,2-b]carbazole

C52H36N2 — CID 145079976

IUPAC2-[9-(2H-inden-1-yl)carbazol-3-yl]-11,11-dimethyl-5-naphthalen-2-ylindeno[1,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1cc(-c2ccc4c(c2)c2ccccc2n4C2=c4ccccc4=CC2)ccc1n3-c1ccc2ccccc2c1
InChIInChI=1S/C52H36N2/c1-52(2)45-17-9-7-15-39(45)41-31-51-44(30-46(41)52)43-29-36(21-25-49(43)53(51)37-23-19-32-11-3-4-13-34(32)27-37)35-22-26-50-42(28-35)40-16-8-10-18-47(40)54(50)48-24-20-33-12-5-6-14-38(33)48/h3-23,25-31H,24H2,1-2H3
InChIKeyXMHDWBDNZKOWHE-UHFFFAOYSA-N
MW688.87 g/mol
LogP11.86
Rot. Bonds3

About 2-[9-(2H-inden-1-yl)carbazol-3-yl]-11,11-dimethyl-5-naphthalen-2-ylindeno[1,2-b]carbazole

2-[9-(2H-inden-1-yl)carbazol-3-yl]-11,11-dimethyl-5-naphthalen-2-ylindeno[1,2-b]carbazole (PubChem CID 145079976) has the molecular formula C52H36N2 and a molecular weight of 688.87 g/mol. Its IUPAC name is 2-[9-(2H-inden-1-yl)carbazol-3-yl]-11,11-dimethyl-5-naphthalen-2-ylindeno[1,2-b]carbazole.

Molecular Properties

Compound Name2-[9-(2H-inden-1-yl)carbazol-3-yl]-11,11-dimethyl-5-naphthalen-2-ylindeno[1,2-b]carbazole
PubChem CID145079976
Molecular FormulaC52H36N2
Molecular Weight688.87 g/mol
Exact Mass688.29
IUPAC Name2-[9-(2H-inden-1-yl)carbazol-3-yl]-11,11-dimethyl-5-naphthalen-2-ylindeno[1,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1cc(-c2ccc4c(c2)c2ccccc2n4C2=c4ccccc4=CC2)ccc1n3-c1ccc2ccccc2c1
InChIInChI=1S/C52H36N2/c1-52(2)45-17-9-7-15-39(45)41-31-51-44(30-46(41)52)43-29-36(21-25-49(43)53(51)37-23-19-32-11-3-4-13-34(32)27-37)35-22-26-50-42(28-35)40-16-8-10-18-47(40)54(50)48-24-20-33-12-5-6-14-38(33)48/h3-23,25-31H,24H2,1-2H3
InChIKeyXMHDWBDNZKOWHE-UHFFFAOYSA-N
XLogP11.86
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.87
LogP ≤ 511.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-[9-(11,11-dimethylbenzo[b]fluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 176786074
9-naphthalen-2-yl-3-[6,6,12,12-tetramethyl-2-(9-naphthalen-2-ylcarbazol-3-yl)indeno[1,2-b]fluoren-8-yl]carbazole
CID 59236649
5-(7,8-dihydronaphthalen-2-yl)-11,11-dimethyl-2-(9-naphthalen-2-ylcarbazol-3-yl)indeno[1,2-b]carbazole
CID 145080103
3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-9-naphthalen-2-ylcarbazole
CID 140907331
14,14-dimethyl-9-naphthalen-2-yl-5-(9-phenylcarbazol-3-yl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;11,11-dimethyl-5-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)indeno[1,2-b]carbazole
CID 159742124
6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine
CID 139500760
2-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole
CID 129312240
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
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 157226629
5-[4-[3,6-bis(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 126632822
12,12-dimethyl-16-naphthalen-2-yl-16-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 122464085

Frequently Asked Questions

What is the IUPAC name of 2-[9-(2H-inden-1-yl)carbazol-3-yl]-11,11-dimethyl-5-naphthalen-2-ylindeno[1,2-b]carbazole?
The IUPAC name of 2-[9-(2H-inden-1-yl)carbazol-3-yl]-11,11-dimethyl-5-naphthalen-2-ylindeno[1,2-b]carbazole (CID 145079976) is 2-[9-(2H-inden-1-yl)carbazol-3-yl]-11,11-dimethyl-5-naphthalen-2-ylindeno[1,2-b]carbazole.
What is the SMILES notation for 2-[9-(2H-inden-1-yl)carbazol-3-yl]-11,11-dimethyl-5-naphthalen-2-ylindeno[1,2-b]carbazole?
The canonical SMILES for 2-[9-(2H-inden-1-yl)carbazol-3-yl]-11,11-dimethyl-5-naphthalen-2-ylindeno[1,2-b]carbazole is CC1(C)c2ccccc2-c2cc3c(cc21)c1cc(-c2ccc4c(c2)c2ccccc2n4C2=c4ccccc4=CC2)ccc1n3-c1ccc2ccccc2c1.
What is the InChIKey of 2-[9-(2H-inden-1-yl)carbazol-3-yl]-11,11-dimethyl-5-naphthalen-2-ylindeno[1,2-b]carbazole?
The InChIKey is XMHDWBDNZKOWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2/c1-52(2)45-17-9-7-15-39(45)41-31-51-44(30-46(41)52)43-29-36(21-25-49(43)53(51)37-23-19-32-11-3-4-13-34(32)27-37)35-22-26-50-42(28-35)40-16-8-10-18-47(40)54(50)48-24-20-33-12-5-6-14-38(33)48/h3-23,25-31H,24H2,1-2H3.
What are the key properties of 2-[9-(2H-inden-1-yl)carbazol-3-yl]-11,11-dimethyl-5-naphthalen-2-ylindeno[1,2-b]carbazole?
2-[9-(2H-inden-1-yl)carbazol-3-yl]-11,11-dimethyl-5-naphthalen-2-ylindeno[1,2-b]carbazole has a molecular weight of 688.87 g/mol, XLogP of 11.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(2H-inden-1-yl)carbazol-3-yl]-11,11-dimethyl-5-naphthalen-2-ylindeno[1,2-b]carbazole is sourced from PubChem (CID 145079976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).