N-(4-phenanthren-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-4b,8a-dihydrophenanthren-9-amine

C58H40N2 — CID 167195270

IUPACN-(4-phenanthren-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-4b,8a-dihydrophenanthren-9-amine
SMILESC1=CC2C(N(c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)c3cccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)c3)=Cc3ccccc3C2C=C1
InChIInChI=1S/C58H40N2/c1-2-17-45(18-3-1)60-55-26-11-10-24-54(55)58-51(25-13-27-56(58)60)42-16-12-19-47(37-42)59(57-38-43-15-5-7-21-49(43)52-22-8-9-23-53(52)57)46-33-30-39(31-34-46)41-32-35-50-44(36-41)29-28-40-14-4-6-20-48(40)50/h1-38,52-53H
InChIKeyZQDXYUWVFPOTDG-UHFFFAOYSA-N
MW764.97 g/mol
LogP15.44
Rot. Bonds6

About N-(4-phenanthren-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-4b,8a-dihydrophenanthren-9-amine

N-(4-phenanthren-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-4b,8a-dihydrophenanthren-9-amine (PubChem CID 167195270) has the molecular formula C58H40N2 and a molecular weight of 764.97 g/mol. Its IUPAC name is N-(4-phenanthren-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-4b,8a-dihydrophenanthren-9-amine.

Molecular Properties

Compound NameN-(4-phenanthren-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-4b,8a-dihydrophenanthren-9-amine
PubChem CID167195270
Molecular FormulaC58H40N2
Molecular Weight764.97 g/mol
Exact Mass764.32
IUPAC NameN-(4-phenanthren-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-4b,8a-dihydrophenanthren-9-amine
SMILESC1=CC2C(N(c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)c3cccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)c3)=Cc3ccccc3C2C=C1
InChIInChI=1S/C58H40N2/c1-2-17-45(18-3-1)60-55-26-11-10-24-54(55)58-51(25-13-27-56(58)60)42-16-12-19-47(37-42)59(57-38-43-15-5-7-21-49(43)52-22-8-9-23-53(52)57)46-33-30-39(31-34-46)41-32-35-50-44(36-41)29-28-40-14-4-6-20-48(40)50/h1-38,52-53H
InChIKeyZQDXYUWVFPOTDG-UHFFFAOYSA-N
XLogP15.44
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.97
LogP ≤ 515.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-phenanthren-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-4b,8a-dihydrophenanthren-9-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-phenanthren-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-2-amine
CID 166659919
3-(9-phenanthren-2-ylcarbazol-4-yl)-N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 166660209
3-(5,9-diphenylcarbazol-4-yl)-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166660170
N-(4-naphthalen-2-ylphenyl)-3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)aniline
CID 167195790
N-(4-phenanthren-2-ylphenyl)-N-phenyl-3-(7-phenylbenzo[c]carbazol-11-yl)aniline
CID 167196251
N-(4-phenanthren-2-ylphenyl)-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]phenanthren-2-amine
CID 166660133
N-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine
CID 166660445
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-3-(5-phenylbenzo[b]carbazol-1-yl)aniline
CID 166660110
3-(7,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 166659601
N-phenanthren-2-yl-9-phenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazol-2-amine
CID 177077814
N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 166659485
5-naphthalen-2-yl-N,9-diphenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 169009775

Frequently Asked Questions

What is the IUPAC name of N-(4-phenanthren-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-4b,8a-dihydrophenanthren-9-amine?
The IUPAC name of N-(4-phenanthren-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-4b,8a-dihydrophenanthren-9-amine (CID 167195270) is N-(4-phenanthren-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-4b,8a-dihydrophenanthren-9-amine.
What is the SMILES notation for N-(4-phenanthren-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-4b,8a-dihydrophenanthren-9-amine?
The canonical SMILES for N-(4-phenanthren-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-4b,8a-dihydrophenanthren-9-amine is C1=CC2C(N(c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)c3cccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)c3)=Cc3ccccc3C2C=C1.
What is the InChIKey of N-(4-phenanthren-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-4b,8a-dihydrophenanthren-9-amine?
The InChIKey is ZQDXYUWVFPOTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2/c1-2-17-45(18-3-1)60-55-26-11-10-24-54(55)58-51(25-13-27-56(58)60)42-16-12-19-47(37-42)59(57-38-43-15-5-7-21-49(43)52-22-8-9-23-53(52)57)46-33-30-39(31-34-46)41-32-35-50-44(36-41)29-28-40-14-4-6-20-48(40)50/h1-38,52-53H.
What are the key properties of N-(4-phenanthren-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-4b,8a-dihydrophenanthren-9-amine?
N-(4-phenanthren-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-4b,8a-dihydrophenanthren-9-amine has a molecular weight of 764.97 g/mol, XLogP of 15.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenanthren-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-4b,8a-dihydrophenanthren-9-amine is sourced from PubChem (CID 167195270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).