N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]phenanthren-1-amine

C70H46N2 — CID 169062808

IUPACN-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]phenanthren-1-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(-c4cccc(N(c5cccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)c5)c5cccc6c5ccc5ccccc56)c4)ccc3c3ccccc23)cc1
InChIInChI=1S/C70H46N2/c1-4-21-48(22-5-1)68-62-33-13-12-32-59(62)60-42-41-51(46-64(60)69(68)49-23-6-2-7-24-49)50-25-16-29-54(44-50)71(65-38-19-36-58-56-31-11-10-20-47(56)40-43-61(58)65)55-30-17-26-52(45-55)57-35-18-39-67-70(57)63-34-14-15-37-66(63)72(67)53-27-8-3-9-28-53/h1-46H
InChIKeyVHHARHRYWVZUGH-UHFFFAOYSA-N
MW915.15 g/mol
LogP19.53
Rot. Bonds8

About N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]phenanthren-1-amine

N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]phenanthren-1-amine (PubChem CID 169062808) has the molecular formula C70H46N2 and a molecular weight of 915.15 g/mol. Its IUPAC name is N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]phenanthren-1-amine.

Molecular Properties

Compound NameN-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]phenanthren-1-amine
PubChem CID169062808
Molecular FormulaC70H46N2
Molecular Weight915.15 g/mol
Exact Mass914.37
IUPAC NameN-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]phenanthren-1-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(-c4cccc(N(c5cccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)c5)c5cccc6c5ccc5ccccc56)c4)ccc3c3ccccc23)cc1
InChIInChI=1S/C70H46N2/c1-4-21-48(22-5-1)68-62-33-13-12-32-59(62)60-42-41-51(46-64(60)69(68)49-23-6-2-7-24-49)50-25-16-29-54(44-50)71(65-38-19-36-58-56-31-11-10-20-47(56)40-43-61(58)65)55-30-17-26-52(45-55)57-35-18-39-67-70(57)63-34-14-15-37-66(63)72(67)53-27-8-3-9-28-53/h1-46H
InChIKeyVHHARHRYWVZUGH-UHFFFAOYSA-N
XLogP19.53
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500915.15
LogP ≤ 519.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]phenanthren-1-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-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]phenanthren-2-amine
CID 169065016
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-3-naphthalen-2-yl-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline
CID 169063501
3-(9,10-diphenylphenanthren-2-yl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 169062702
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-2-amine
CID 169065210
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N,9-diphenylcarbazol-4-amine
CID 169064644
N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 166659485
N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 166659786
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-2-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)aniline
CID 169065141
N-naphthalen-2-yl-9,10-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]phenanthren-2-amine
CID 169065150
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]naphthalen-1-amine
CID 167195982
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine
CID 167195242
N-(4-phenanthren-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-2-amine
CID 166659919

Frequently Asked Questions

What is the IUPAC name of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]phenanthren-1-amine?
The IUPAC name of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]phenanthren-1-amine (CID 169062808) is N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]phenanthren-1-amine.
What is the SMILES notation for N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]phenanthren-1-amine?
The canonical SMILES for N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]phenanthren-1-amine is c1ccc(-c2c(-c3ccccc3)c3cc(-c4cccc(N(c5cccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)c5)c5cccc6c5ccc5ccccc56)c4)ccc3c3ccccc23)cc1.
What is the InChIKey of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]phenanthren-1-amine?
The InChIKey is VHHARHRYWVZUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H46N2/c1-4-21-48(22-5-1)68-62-33-13-12-32-59(62)60-42-41-51(46-64(60)69(68)49-23-6-2-7-24-49)50-25-16-29-54(44-50)71(65-38-19-36-58-56-31-11-10-20-47(56)40-43-61(58)65)55-30-17-26-52(45-55)57-35-18-39-67-70(57)63-34-14-15-37-66(63)72(67)53-27-8-3-9-28-53/h1-46H.
What are the key properties of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]phenanthren-1-amine?
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]phenanthren-1-amine has a molecular weight of 915.15 g/mol, XLogP of 19.53, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]phenanthren-1-amine is sourced from PubChem (CID 169062808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).