2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine

C36H27N3 — CID 164801794

IUPAC2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine
SMILESc1ccc(Nc2cc(N(c3ccccc3)c3ccccc3)c3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C36H27N3/c1-5-15-27(16-6-1)37-28-25-34(38(29-17-7-2-8-18-29)30-19-9-3-10-20-30)36-32-23-13-14-24-33(32)39(35(36)26-28)31-21-11-4-12-22-31/h1-26,37H
InChIKeyRMSXPSYGUOEPSJ-UHFFFAOYSA-N
MW501.63 g/mol
LogP10.00
Rot. Bonds6

About 2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine

2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine (PubChem CID 164801794) has the molecular formula C36H27N3 and a molecular weight of 501.63 g/mol. Its IUPAC name is 2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine
PubChem CID164801794
Molecular FormulaC36H27N3
Molecular Weight501.63 g/mol
Exact Mass501.22
IUPAC Name2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine
SMILESc1ccc(Nc2cc(N(c3ccccc3)c3ccccc3)c3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C36H27N3/c1-5-15-27(16-6-1)37-28-25-34(38(29-17-7-2-8-18-29)30-19-9-3-10-20-30)36-32-23-13-14-24-33(32)39(35(36)26-28)31-21-11-4-12-22-31/h1-26,37H
InChIKeyRMSXPSYGUOEPSJ-UHFFFAOYSA-N
XLogP10.00
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.63
LogP ≤ 510.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine 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

N-[4-(4-anilinophenyl)phenyl]-N,11-diphenylbenzo[a]carbazol-5-amine
CID 130279544
methane;N-phenylaniline;N,N,5,10-tetraphenylindolo[3,2-b]indol-3-amine
CID 158718269
9-N,9-N,15-N,15-N,12-pentakis-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 153487388
2-N,4-N,4-N-triphenyl-2-N-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazole-2,4-diamine
CID 154965850
N,9-diphenyl-1-[4-(N-phenylanilino)phenyl]carbazol-3-amine
CID 146296558
2-N,4-N-di(dibenzofuran-1-yl)-2-N,4-N,9-triphenylcarbazole-2,4-diamine
CID 139496690
4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 20607981
9-naphthalen-2-yl-2-N,4-N,4-N-triphenyl-2-N-(9-phenylcarbazol-3-yl)carbazole-2,4-diamine
CID 154965674
9-N,15-N-bis(4-benzo[c]carbazol-7-ylphenyl)-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 154593333
4-[(Z)-2-(4-carbazol-9-ylphenyl)-2-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]ethenyl]-N-phenylaniline
CID 121256430
1-N,7-N-diphenyl-1-N,7-N-bis(9-phenylcarbazol-3-yl)chrysene-1,7-diamine
CID 170410725
2-N-(9,9-dimethylfluoren-2-yl)-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine
CID 154965664

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine?
The IUPAC name of 2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine (CID 164801794) is 2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine.
What is the SMILES notation for 2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine?
The canonical SMILES for 2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine is c1ccc(Nc2cc(N(c3ccccc3)c3ccccc3)c3c4ccccc4n(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine?
The InChIKey is RMSXPSYGUOEPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27N3/c1-5-15-27(16-6-1)37-28-25-34(38(29-17-7-2-8-18-29)30-19-9-3-10-20-30)36-32-23-13-14-24-33(32)39(35(36)26-28)31-21-11-4-12-22-31/h1-26,37H.
What are the key properties of 2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine?
2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine has a molecular weight of 501.63 g/mol, XLogP of 10.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine is sourced from PubChem (CID 164801794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).