N-(4-naphthalen-2-ylphenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine

C53H34N2 — CID 59372431

IUPACN-(4-naphthalen-2-ylphenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-n3c4ccccc4c4cc(Nc5ccc(-c6ccc7ccccc7c6)cc5)ccc43)cc21
InChIInChI=1S/C53H34N2/c1-2-12-36-31-37(22-21-34(36)11-1)35-23-25-38(26-24-35)54-39-27-30-52-46(32-39)45-16-6-10-20-51(45)55(52)40-28-29-44-43-15-5-9-19-49(43)53(50(44)33-40)47-17-7-3-13-41(47)42-14-4-8-18-48(42)53/h1-33,54H
InChIKeyVURDRYYYISDCJI-UHFFFAOYSA-N
MW698.87 g/mol
LogP13.69
Rot. Bonds4

About N-(4-naphthalen-2-ylphenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine

N-(4-naphthalen-2-ylphenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine (PubChem CID 59372431) has the molecular formula C53H34N2 and a molecular weight of 698.87 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
PubChem CID59372431
Molecular FormulaC53H34N2
Molecular Weight698.87 g/mol
Exact Mass698.27
IUPAC NameN-(4-naphthalen-2-ylphenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-n3c4ccccc4c4cc(Nc5ccc(-c6ccc7ccccc7c6)cc5)ccc43)cc21
InChIInChI=1S/C53H34N2/c1-2-12-36-31-37(22-21-34(36)11-1)35-23-25-38(26-24-35)54-39-27-30-52-46(32-39)45-16-6-10-20-51(45)55(52)40-28-29-44-43-15-5-9-19-49(43)53(50(44)33-40)47-17-7-3-13-41(47)42-14-4-8-18-48(42)53/h1-33,54H
InChIKeyVURDRYYYISDCJI-UHFFFAOYSA-N
XLogP13.69
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.87
LogP ≤ 513.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-naphthalen-2-ylphenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine 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-(4-methylphenyl)-N-(4-naphthalen-2-ylphenyl)carbazol-3-amine
CID 59372433
9-naphthalen-2-yl-3-[(E)-2-[4-[7'-[4-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)ethenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]carbazole
CID 59236656
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
9-naphthalen-2-yl-3-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]carbazole
CID 130397941
4-(4-naphthalen-2-ylphenyl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline
CID 59288178
N-(4-naphthalen-2-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 59288183
9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59217021
9-phenyl-3-(3'-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-3-yl)carbazole
CID 138623650
11-[4-[3-[[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]amino]phenyl]phenyl]-N-phenylbenzo[a]carbazol-8-amine
CID 135169249
9-(9,9-dimethylfluoren-2-yl)-N-phenylcarbazol-3-amine;N,11-diphenylbenzo[a]carbazol-8-amine;N,9-diphenylcarbazol-3-amine;N-phenyl-11-(4-phenylphenyl)benzo[a]carbazol-8-amine
CID 159034865
CID 134551673
CID 134551673
N-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-9-phenylcarbazol-3-amine;N-(4-naphthalen-1-ylnaphthalen-1-yl)-9-phenylcarbazol-3-amine;N-(5-naphthalen-1-ylnaphthalen-1-yl)-9-phenylcarbazol-3-amine;N-(6-naphthalen-1-ylnaphthalen-2-yl)-9-phenylcarbazol-3-amine;N-(7'-naphthalen-1-yl-9,9'-spirobi[fluorene]-2'-yl)-9-phenylcarbazol-3-amine
CID 158943962

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine (CID 59372431) is N-(4-naphthalen-2-ylphenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-n3c4ccccc4c4cc(Nc5ccc(-c6ccc7ccccc7c6)cc5)ccc43)cc21.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine?
The InChIKey is VURDRYYYISDCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2/c1-2-12-36-31-37(22-21-34(36)11-1)35-23-25-38(26-24-35)54-39-27-30-52-46(32-39)45-16-6-10-20-51(45)55(52)40-28-29-44-43-15-5-9-19-49(43)53(50(44)33-40)47-17-7-3-13-41(47)42-14-4-8-18-48(42)53/h1-33,54H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine?
N-(4-naphthalen-2-ylphenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine has a molecular weight of 698.87 g/mol, XLogP of 13.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-ylphenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine is sourced from PubChem (CID 59372431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).