2-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole

C43H31N — CID 129312240

IUPAC2-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccccc3-c3ccc4c5ccccc5n(-c5ccc6ccccc6c5)c4c3)cc21
InChIInChI=1S/C43H31N/c1-43(2)39-17-9-7-15-35(39)36-23-20-30(26-40(36)43)33-13-5-6-14-34(33)31-21-24-38-37-16-8-10-18-41(37)44(42(38)27-31)32-22-19-28-11-3-4-12-29(28)25-32/h3-27H,1-2H3
InChIKeyWIHOCUYNOPPWQG-UHFFFAOYSA-N
MW561.73 g/mol
LogP11.58
Rot. Bonds3

About 2-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole

2-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole (PubChem CID 129312240) has the molecular formula C43H31N and a molecular weight of 561.73 g/mol. Its IUPAC name is 2-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole.

Molecular Properties

Compound Name2-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole
PubChem CID129312240
Molecular FormulaC43H31N
Molecular Weight561.73 g/mol
Exact Mass561.25
IUPAC Name2-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccccc3-c3ccc4c5ccccc5n(-c5ccc6ccccc6c5)c4c3)cc21
InChIInChI=1S/C43H31N/c1-43(2)39-17-9-7-15-35(39)36-23-20-30(26-40(36)43)33-13-5-6-14-34(33)31-21-24-38-37-16-8-10-18-41(37)44(42(38)27-31)32-22-19-28-11-3-4-12-29(28)25-32/h3-27H,1-2H3
InChIKeyWIHOCUYNOPPWQG-UHFFFAOYSA-N
XLogP11.58
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.73
LogP ≤ 511.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole
CID 129312405
9-[7-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]carbazole
CID 118595114
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
6-(9,9-dimethylfluoren-2-yl)-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole;6-phenanthren-9-yl-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 161421085
9-(9,9-dimethylfluoren-2-yl)-2-triphenylen-2-ylcarbazole
CID 118919712
15-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492385
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
3-[9-(11,11-dimethylbenzo[b]fluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 176786074
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-[7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]carbazole
CID 58676147
2-carbazol-9-yl-9-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole
CID 121274445
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole?
The IUPAC name of 2-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole (CID 129312240) is 2-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole.
What is the SMILES notation for 2-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole?
The canonical SMILES for 2-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole is CC1(C)c2ccccc2-c2ccc(-c3ccccc3-c3ccc4c5ccccc5n(-c5ccc6ccccc6c5)c4c3)cc21.
What is the InChIKey of 2-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole?
The InChIKey is WIHOCUYNOPPWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N/c1-43(2)39-17-9-7-15-35(39)36-23-20-30(26-40(36)43)33-13-5-6-14-34(33)31-21-24-38-37-16-8-10-18-41(37)44(42(38)27-31)32-22-19-28-11-3-4-12-29(28)25-32/h3-27H,1-2H3.
What are the key properties of 2-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole?
2-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole has a molecular weight of 561.73 g/mol, XLogP of 11.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole is sourced from PubChem (CID 129312240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).