9-naphthalen-2-yl-3-spiro[fluorene-9,2'-tricyclo[3.3.0.03,7]octane]-3-ylcarbazole

C42H31N — CID 156577012

IUPAC9-naphthalen-2-yl-3-spiro[fluorene-9,2'-tricyclo[3.3.0.03,7]octane]-3-ylcarbazole
SMILESc1ccc2c(c1)-c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4ccccc4c3)ccc1C21C2CC3CC2CC31
InChIInChI=1S/C42H31N/c1-2-8-26-20-31(16-13-25(26)7-1)43-40-12-6-4-10-33(40)35-22-28(15-18-41(35)43)27-14-17-37-34(21-27)32-9-3-5-11-36(32)42(37)38-23-29-19-30(38)24-39(29)42/h1-18,20-22,29-30,38-39H,19,23-24H2
InChIKeyMONIVUWLRNITKO-UHFFFAOYSA-N
MW549.72 g/mol
LogP10.55
Rot. Bonds2

About 9-naphthalen-2-yl-3-spiro[fluorene-9,2'-tricyclo[3.3.0.03,7]octane]-3-ylcarbazole

9-naphthalen-2-yl-3-spiro[fluorene-9,2'-tricyclo[3.3.0.03,7]octane]-3-ylcarbazole (PubChem CID 156577012) has the molecular formula C42H31N and a molecular weight of 549.72 g/mol. Its IUPAC name is 9-naphthalen-2-yl-3-spiro[fluorene-9,2'-tricyclo[3.3.0.03,7]octane]-3-ylcarbazole.

Molecular Properties

Compound Name9-naphthalen-2-yl-3-spiro[fluorene-9,2'-tricyclo[3.3.0.03,7]octane]-3-ylcarbazole
PubChem CID156577012
Molecular FormulaC42H31N
Molecular Weight549.72 g/mol
Exact Mass549.25
IUPAC Name9-naphthalen-2-yl-3-spiro[fluorene-9,2'-tricyclo[3.3.0.03,7]octane]-3-ylcarbazole
SMILESc1ccc2c(c1)-c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4ccccc4c3)ccc1C21C2CC3CC2CC31
InChIInChI=1S/C42H31N/c1-2-8-26-20-31(16-13-25(26)7-1)43-40-12-6-4-10-33(40)35-22-28(15-18-41(35)43)27-14-17-37-34(21-27)32-9-3-5-11-36(32)42(37)38-23-29-19-30(38)24-39(29)42/h1-18,20-22,29-30,38-39H,19,23-24H2
InChIKeyMONIVUWLRNITKO-UHFFFAOYSA-N
XLogP10.55
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.72
LogP ≤ 510.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9-naphthalen-2-yl-3-spiro[fluorene-9,2'-tricyclo[3.3.0.03,7]octane]-3-ylcarbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-naphthalen-2-yl-3-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]carbazole
CID 130397941
3-[9-(11,11-dimethylbenzo[b]fluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 176786074
9-(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole
CID 156576999
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
ethane;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 142515451
3-fluoro-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164809994
9-phenyl-3-(3'-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-3-yl)carbazole
CID 138623650
3-(9-isoquinolin-3-ylcarbazol-3-yl)-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164809981
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-[2-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764145
9-naphthalen-2-yl-3-[4-[7'-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]carbazole
CID 59236268

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-2-yl-3-spiro[fluorene-9,2'-tricyclo[3.3.0.03,7]octane]-3-ylcarbazole?
The IUPAC name of 9-naphthalen-2-yl-3-spiro[fluorene-9,2'-tricyclo[3.3.0.03,7]octane]-3-ylcarbazole (CID 156577012) is 9-naphthalen-2-yl-3-spiro[fluorene-9,2'-tricyclo[3.3.0.03,7]octane]-3-ylcarbazole.
What is the SMILES notation for 9-naphthalen-2-yl-3-spiro[fluorene-9,2'-tricyclo[3.3.0.03,7]octane]-3-ylcarbazole?
The canonical SMILES for 9-naphthalen-2-yl-3-spiro[fluorene-9,2'-tricyclo[3.3.0.03,7]octane]-3-ylcarbazole is c1ccc2c(c1)-c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4ccccc4c3)ccc1C21C2CC3CC2CC31.
What is the InChIKey of 9-naphthalen-2-yl-3-spiro[fluorene-9,2'-tricyclo[3.3.0.03,7]octane]-3-ylcarbazole?
The InChIKey is MONIVUWLRNITKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31N/c1-2-8-26-20-31(16-13-25(26)7-1)43-40-12-6-4-10-33(40)35-22-28(15-18-41(35)43)27-14-17-37-34(21-27)32-9-3-5-11-36(32)42(37)38-23-29-19-30(38)24-39(29)42/h1-18,20-22,29-30,38-39H,19,23-24H2.
What are the key properties of 9-naphthalen-2-yl-3-spiro[fluorene-9,2'-tricyclo[3.3.0.03,7]octane]-3-ylcarbazole?
9-naphthalen-2-yl-3-spiro[fluorene-9,2'-tricyclo[3.3.0.03,7]octane]-3-ylcarbazole has a molecular weight of 549.72 g/mol, XLogP of 10.55, 2 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-spiro[fluorene-9,2'-tricyclo[3.3.0.03,7]octane]-3-ylcarbazole is sourced from PubChem (CID 156577012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).