N-(4-dibenzothiophen-2-ylphenyl)-N-phenanthren-3-yl-9-phenylcarbazol-3-amine

C50H32N2S — CID 168809750

IUPACN-(4-dibenzothiophen-2-ylphenyl)-N-phenanthren-3-yl-9-phenylcarbazol-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4ccc5ccc6ccccc6c5c4)ccc32)cc1
InChIInChI=1S/C50H32N2S/c1-2-11-37(12-3-1)52-47-16-8-6-14-42(47)45-32-40(27-28-48(45)52)51(39-26-22-35-19-18-34-10-4-5-13-41(34)44(35)31-39)38-24-20-33(21-25-38)36-23-29-50-46(30-36)43-15-7-9-17-49(43)53-50/h1-32H
InChIKeyFCGLZZMORUHYQN-UHFFFAOYSA-N
MW692.89 g/mol
LogP14.59
Rot. Bonds5

About N-(4-dibenzothiophen-2-ylphenyl)-N-phenanthren-3-yl-9-phenylcarbazol-3-amine

N-(4-dibenzothiophen-2-ylphenyl)-N-phenanthren-3-yl-9-phenylcarbazol-3-amine (PubChem CID 168809750) has the molecular formula C50H32N2S and a molecular weight of 692.89 g/mol. Its IUPAC name is N-(4-dibenzothiophen-2-ylphenyl)-N-phenanthren-3-yl-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-2-ylphenyl)-N-phenanthren-3-yl-9-phenylcarbazol-3-amine
PubChem CID168809750
Molecular FormulaC50H32N2S
Molecular Weight692.89 g/mol
Exact Mass692.23
IUPAC NameN-(4-dibenzothiophen-2-ylphenyl)-N-phenanthren-3-yl-9-phenylcarbazol-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4ccc5ccc6ccccc6c5c4)ccc32)cc1
InChIInChI=1S/C50H32N2S/c1-2-11-37(12-3-1)52-47-16-8-6-14-42(47)45-32-40(27-28-48(45)52)51(39-26-22-35-19-18-34-10-4-5-13-41(34)44(35)31-39)38-24-20-33(21-25-38)36-23-29-50-46(30-36)43-15-7-9-17-49(43)53-50/h1-32H
InChIKeyFCGLZZMORUHYQN-UHFFFAOYSA-N
XLogP14.59
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.89
LogP ≤ 514.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-(4-dibenzothiophen-2-ylphenyl)-N-phenanthren-3-yl-9-phenylcarbazol-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

N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine
CID 129222113
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-3-amine
CID 70808761
N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine
CID 88898950
N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine
CID 158224330
1-N,3-N-di(dibenzothiophen-2-yl)-1-N,3-N-dinaphthalen-2-yl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 88873441
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-8-amine
CID 167277542
6-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-phenanthren-3-yl-9-phenylcarbazol-2-amine
CID 137493834
N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]phenanthren-3-amine
CID 168809831
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90351069
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline
CID 90077208
N-[4-[3-(6,9-diphenylcarbazol-2-yl)phenyl]phenyl]-N-phenyldibenzothiophen-2-amine
CID 118505638
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylnaphthalen-2-yl)phenyl]phenanthren-3-amine
CID 168810012

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-N-phenanthren-3-yl-9-phenylcarbazol-3-amine?
The IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-N-phenanthren-3-yl-9-phenylcarbazol-3-amine (CID 168809750) is N-(4-dibenzothiophen-2-ylphenyl)-N-phenanthren-3-yl-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-(4-dibenzothiophen-2-ylphenyl)-N-phenanthren-3-yl-9-phenylcarbazol-3-amine?
The canonical SMILES for N-(4-dibenzothiophen-2-ylphenyl)-N-phenanthren-3-yl-9-phenylcarbazol-3-amine is c1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4ccc5ccc6ccccc6c5c4)ccc32)cc1.
What is the InChIKey of N-(4-dibenzothiophen-2-ylphenyl)-N-phenanthren-3-yl-9-phenylcarbazol-3-amine?
The InChIKey is FCGLZZMORUHYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2S/c1-2-11-37(12-3-1)52-47-16-8-6-14-42(47)45-32-40(27-28-48(45)52)51(39-26-22-35-19-18-34-10-4-5-13-41(34)44(35)31-39)38-24-20-33(21-25-38)36-23-29-50-46(30-36)43-15-7-9-17-49(43)53-50/h1-32H.
What are the key properties of N-(4-dibenzothiophen-2-ylphenyl)-N-phenanthren-3-yl-9-phenylcarbazol-3-amine?
N-(4-dibenzothiophen-2-ylphenyl)-N-phenanthren-3-yl-9-phenylcarbazol-3-amine has a molecular weight of 692.89 g/mol, XLogP of 14.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-2-ylphenyl)-N-phenanthren-3-yl-9-phenylcarbazol-3-amine is sourced from PubChem (CID 168809750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).