1-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole

C43H31N — CID 129312405

IUPAC1-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccccc3-c3cccc4c5ccccc5n(-c5ccc6ccccc6c5)c34)cc21
InChIInChI=1S/C43H31N/c1-43(2)39-20-9-7-16-34(39)35-25-23-30(27-40(35)43)32-14-5-6-15-33(32)37-18-11-19-38-36-17-8-10-21-41(36)44(42(37)38)31-24-22-28-12-3-4-13-29(28)26-31/h3-27H,1-2H3
InChIKeyXRCOZICDMOBZAA-UHFFFAOYSA-N
MW561.73 g/mol
LogP11.58
Rot. Bonds3

About 1-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole

1-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole (PubChem CID 129312405) has the molecular formula C43H31N and a molecular weight of 561.73 g/mol. Its IUPAC name is 1-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole.

Molecular Properties

Compound Name1-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole
PubChem CID129312405
Molecular FormulaC43H31N
Molecular Weight561.73 g/mol
Exact Mass561.25
IUPAC Name1-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccccc3-c3cccc4c5ccccc5n(-c5ccc6ccccc6c5)c34)cc21
InChIInChI=1S/C43H31N/c1-43(2)39-20-9-7-16-34(39)35-25-23-30(27-40(35)43)32-14-5-6-15-33(32)37-18-11-19-38-36-17-8-10-21-41(36)44(42(37)38)31-24-22-28-12-3-4-13-29(28)26-31/h3-27H,1-2H3
InChIKeyXRCOZICDMOBZAA-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

2-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole
CID 129312240
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
1-(9,9-dimethylfluoren-2-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 147949558
11-(9,9-dimethylfluoren-2-yl)-12-(2,6-diphenyl-4-pyridinyl)indolo[2,3-a]carbazole
CID 121385351
1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole
CID 129312013
12-(9,9-dimethylfluoren-2-yl)-11-[4-(4,6-diphenyl-2-pyridinyl)phenyl]indolo[2,3-a]carbazole
CID 121385344
9-[7-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]carbazole
CID 118595114
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
12,12-dimethyl-8-(9-naphthalen-2-ylcarbazol-3-yl)-11-phenylindeno[2,1-a]carbazole
CID 121343398
3-(9,9-dimethylfluoren-2-yl)-9-(6-fluoranthen-2-ylnaphthalen-2-yl)carbazole
CID 130295137
3-[9-(11,11-dimethylbenzo[b]fluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 176786074
8-benzo[a]carbazol-11-yl-5-[3-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]phenyl]benzo[b]carbazole
CID 146375702

Frequently Asked Questions

What is the IUPAC name of 1-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole?
The IUPAC name of 1-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole (CID 129312405) is 1-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole.
What is the SMILES notation for 1-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole?
The canonical SMILES for 1-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole is CC1(C)c2ccccc2-c2ccc(-c3ccccc3-c3cccc4c5ccccc5n(-c5ccc6ccccc6c5)c34)cc21.
What is the InChIKey of 1-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole?
The InChIKey is XRCOZICDMOBZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N/c1-43(2)39-20-9-7-16-34(39)35-25-23-30(27-40(35)43)32-14-5-6-15-33(32)37-18-11-19-38-36-17-8-10-21-41(36)44(42(37)38)31-24-22-28-12-3-4-13-29(28)26-31/h3-27H,1-2H3.
What are the key properties of 1-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole?
1-[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 1-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole is sourced from PubChem (CID 129312405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).