9-naphthalen-1-yl-1-(9-naphthalen-1-ylcarbazol-1-yl)carbazole

C44H28N2 — CID 134507274

IUPAC9-naphthalen-1-yl-1-(9-naphthalen-1-ylcarbazol-1-yl)carbazole
SMILESc1ccc2c(-n3c4ccccc4c4cccc(-c5cccc6c7ccccc7n(-c7cccc8ccccc78)c56)c43)cccc2c1
InChIInChI=1S/C44H28N2/c1-3-17-31-29(13-1)15-9-27-39(31)45-41-25-7-5-19-33(41)35-21-11-23-37(43(35)45)38-24-12-22-36-34-20-6-8-26-42(34)46(44(36)38)40-28-10-16-30-14-2-4-18-32(30)40/h1-28H
InChIKeyWOHFESVSKJGBES-UHFFFAOYSA-N
MW584.72 g/mol
LogP11.85
Rot. Bonds3

About 9-naphthalen-1-yl-1-(9-naphthalen-1-ylcarbazol-1-yl)carbazole

9-naphthalen-1-yl-1-(9-naphthalen-1-ylcarbazol-1-yl)carbazole (PubChem CID 134507274) has the molecular formula C44H28N2 and a molecular weight of 584.72 g/mol. Its IUPAC name is 9-naphthalen-1-yl-1-(9-naphthalen-1-ylcarbazol-1-yl)carbazole.

Molecular Properties

Compound Name9-naphthalen-1-yl-1-(9-naphthalen-1-ylcarbazol-1-yl)carbazole
PubChem CID134507274
Molecular FormulaC44H28N2
Molecular Weight584.72 g/mol
Exact Mass584.23
IUPAC Name9-naphthalen-1-yl-1-(9-naphthalen-1-ylcarbazol-1-yl)carbazole
SMILESc1ccc2c(-n3c4ccccc4c4cccc(-c5cccc6c7ccccc7n(-c7cccc8ccccc78)c56)c43)cccc2c1
InChIInChI=1S/C44H28N2/c1-3-17-31-29(13-1)15-9-27-39(31)45-41-25-7-5-19-33(41)35-21-11-23-37(43(35)45)38-24-12-22-36-34-20-6-8-26-42(34)46(44(36)38)40-28-10-16-30-14-2-4-18-32(30)40/h1-28H
InChIKeyWOHFESVSKJGBES-UHFFFAOYSA-N
XLogP11.85
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.72
LogP ≤ 511.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-naphthalen-1-yl-1-(9-naphthalen-1-ylcarbazol-1-yl)carbazole 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

1-chloro-9-(9-naphthalen-1-ylcarbazol-1-yl)carbazole
CID 168807655
9,19-dinaphthalen-1-yl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene
CID 135163071
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-naphthalen-1-ylindolo[2,3-a]carbazole
CID 138623523
9-naphthalen-1-yl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 135162926
11-naphthalen-1-yl-12-[3-(11-naphthalen-1-ylindolo[2,3-a]carbazol-12-yl)-5-phenylphenyl]indolo[2,3-a]carbazole
CID 59365908
1-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazole
CID 167187306
1-methyl-9-naphthalen-1-yl-8-phenylcarbazole
CID 138623517
14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene-10,11-dicarbonitrile
CID 121386164
11-naphthalen-1-yl-12-phenylphosphindolo[2,3-a]carbazole 12-oxide
CID 121310385
5-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-naphthalen-1-ylindolo[3,2-c]carbazole
CID 155631323
3-[2-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764137
5-phenyl-5,21-diazaoctacyclo[19.10.1.02,14.04,12.06,11.015,20.022,27.028,32]dotriaconta-1(31),2(14),3,6,8,10,12,15,17,19,22,24,26,28(32),29-pentadecaene
CID 126699843

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-1-yl-1-(9-naphthalen-1-ylcarbazol-1-yl)carbazole?
The IUPAC name of 9-naphthalen-1-yl-1-(9-naphthalen-1-ylcarbazol-1-yl)carbazole (CID 134507274) is 9-naphthalen-1-yl-1-(9-naphthalen-1-ylcarbazol-1-yl)carbazole.
What is the SMILES notation for 9-naphthalen-1-yl-1-(9-naphthalen-1-ylcarbazol-1-yl)carbazole?
The canonical SMILES for 9-naphthalen-1-yl-1-(9-naphthalen-1-ylcarbazol-1-yl)carbazole is c1ccc2c(-n3c4ccccc4c4cccc(-c5cccc6c7ccccc7n(-c7cccc8ccccc78)c56)c43)cccc2c1.
What is the InChIKey of 9-naphthalen-1-yl-1-(9-naphthalen-1-ylcarbazol-1-yl)carbazole?
The InChIKey is WOHFESVSKJGBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2/c1-3-17-31-29(13-1)15-9-27-39(31)45-41-25-7-5-19-33(41)35-21-11-23-37(43(35)45)38-24-12-22-36-34-20-6-8-26-42(34)46(44(36)38)40-28-10-16-30-14-2-4-18-32(30)40/h1-28H.
What are the key properties of 9-naphthalen-1-yl-1-(9-naphthalen-1-ylcarbazol-1-yl)carbazole?
9-naphthalen-1-yl-1-(9-naphthalen-1-ylcarbazol-1-yl)carbazole has a molecular weight of 584.72 g/mol, XLogP of 11.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-1-yl-1-(9-naphthalen-1-ylcarbazol-1-yl)carbazole is sourced from PubChem (CID 134507274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).