9-naphthalen-2-yl-3-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]carbazole

C53H33N — CID 130397941

IUPAC9-naphthalen-2-yl-3-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]carbazole
SMILESc1cc(-c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3ccccc3c2)c1
InChIInChI=1S/C53H33N/c1-2-13-37-31-40(27-24-34(37)12-1)54-51-23-10-6-19-44(51)46-33-39(26-29-52(46)54)36-15-11-14-35(30-36)38-25-28-50-45(32-38)43-18-5-9-22-49(43)53(50)47-20-7-3-16-41(47)42-17-4-8-21-48(42)53/h1-33H
InChIKeyAPKOTBZZFQPSMR-UHFFFAOYSA-N
MW683.85 g/mol
LogP13.61
Rot. Bonds3

About 9-naphthalen-2-yl-3-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]carbazole

9-naphthalen-2-yl-3-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]carbazole (PubChem CID 130397941) has the molecular formula C53H33N and a molecular weight of 683.85 g/mol. Its IUPAC name is 9-naphthalen-2-yl-3-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-naphthalen-2-yl-3-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]carbazole
PubChem CID130397941
Molecular FormulaC53H33N
Molecular Weight683.85 g/mol
Exact Mass683.26
IUPAC Name9-naphthalen-2-yl-3-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]carbazole
SMILESc1cc(-c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3ccccc3c2)c1
InChIInChI=1S/C53H33N/c1-2-13-37-31-40(27-24-34(37)12-1)54-51-23-10-6-19-44(51)46-33-39(26-29-52(46)54)36-15-11-14-35(30-36)38-25-28-50-45(32-38)43-18-5-9-22-49(43)53(50)47-20-7-3-16-41(47)42-17-4-8-21-48(42)53/h1-33H
InChIKeyAPKOTBZZFQPSMR-UHFFFAOYSA-N
XLogP13.61
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.85
LogP ≤ 513.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-phenyl-3-(3'-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-3-yl)carbazole
CID 138623650
9-naphthalen-2-yl-3-spiro[fluorene-9,2'-tricyclo[3.3.0.03,7]octane]-3-ylcarbazole
CID 156577012
3-[3-[2-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764145
3-[9-(11,11-dimethylbenzo[b]fluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 176786074
CID 134551673
CID 134551673
5-naphthalen-2-yl-2-(9-naphthalen-2-ylcarbazol-3-yl)-7,7-diphenylindeno[2,1-b]carbazole;5-naphthalen-2-yl-2-(9-naphthalen-2-ylcarbazol-3-yl)-11,11-diphenylindeno[1,2-b]carbazole
CID 160877708
3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118919659
3-[3-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 126764146
3-(3-bromophenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 90215122
3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole;9-naphthalen-2-yl-3-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]carbazole
CID 158991162
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
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

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-2-yl-3-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]carbazole?
The IUPAC name of 9-naphthalen-2-yl-3-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]carbazole (CID 130397941) is 9-naphthalen-2-yl-3-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]carbazole.
What is the SMILES notation for 9-naphthalen-2-yl-3-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]carbazole?
The canonical SMILES for 9-naphthalen-2-yl-3-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]carbazole is c1cc(-c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3ccccc3c2)c1.
What is the InChIKey of 9-naphthalen-2-yl-3-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]carbazole?
The InChIKey is APKOTBZZFQPSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N/c1-2-13-37-31-40(27-24-34(37)12-1)54-51-23-10-6-19-44(51)46-33-39(26-29-52(46)54)36-15-11-14-35(30-36)38-25-28-50-45(32-38)43-18-5-9-22-49(43)53(50)47-20-7-3-16-41(47)42-17-4-8-21-48(42)53/h1-33H.
What are the key properties of 9-naphthalen-2-yl-3-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]carbazole?
9-naphthalen-2-yl-3-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]carbazole has a molecular weight of 683.85 g/mol, XLogP of 13.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-2-yl-3-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]carbazole is sourced from PubChem (CID 130397941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).