N-[4-[3-(1,2-dihydrocarbazol-9-yl)-5-phenanthren-2-ylphenyl]phenyl]-N,4-diphenylaniline

C56H40N2 — CID 170273179

IUPACN-[4-[3-(1,2-dihydrocarbazol-9-yl)-5-phenanthren-2-ylphenyl]phenyl]-N,4-diphenylaniline
SMILESC1=Cc2c(n(-c3cc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4)cc(-c4ccc5c(ccc6ccccc65)c4)c3)c3ccccc23)CC1
InChIInChI=1S/C56H40N2/c1-3-13-39(14-4-1)40-25-30-48(31-26-40)57(47-16-5-2-6-17-47)49-32-27-41(28-33-49)45-36-46(43-29-34-52-44(35-43)24-23-42-15-7-8-18-51(42)52)38-50(37-45)58-55-21-11-9-19-53(55)54-20-10-12-22-56(54)58/h1-11,13-21,23-38H,12,22H2
InChIKeyYPECJHPQMKLCBL-UHFFFAOYSA-N
MW740.95 g/mol
LogP15.37
Rot. Bonds7

About N-[4-[3-(1,2-dihydrocarbazol-9-yl)-5-phenanthren-2-ylphenyl]phenyl]-N,4-diphenylaniline

N-[4-[3-(1,2-dihydrocarbazol-9-yl)-5-phenanthren-2-ylphenyl]phenyl]-N,4-diphenylaniline (PubChem CID 170273179) has the molecular formula C56H40N2 and a molecular weight of 740.95 g/mol. Its IUPAC name is N-[4-[3-(1,2-dihydrocarbazol-9-yl)-5-phenanthren-2-ylphenyl]phenyl]-N,4-diphenylaniline.

Molecular Properties

Compound NameN-[4-[3-(1,2-dihydrocarbazol-9-yl)-5-phenanthren-2-ylphenyl]phenyl]-N,4-diphenylaniline
PubChem CID170273179
Molecular FormulaC56H40N2
Molecular Weight740.95 g/mol
Exact Mass740.32
IUPAC NameN-[4-[3-(1,2-dihydrocarbazol-9-yl)-5-phenanthren-2-ylphenyl]phenyl]-N,4-diphenylaniline
SMILESC1=Cc2c(n(-c3cc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4)cc(-c4ccc5c(ccc6ccccc65)c4)c3)c3ccccc23)CC1
InChIInChI=1S/C56H40N2/c1-3-13-39(14-4-1)40-25-30-48(31-26-40)57(47-16-5-2-6-17-47)49-32-27-41(28-33-49)45-36-46(43-29-34-52-44(35-43)24-23-42-15-7-8-18-51(42)52)38-50(37-45)58-55-21-11-9-19-53(55)54-20-10-12-22-56(54)58/h1-11,13-21,23-38H,12,22H2
InChIKeyYPECJHPQMKLCBL-UHFFFAOYSA-N
XLogP15.37
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.95
LogP ≤ 515.37
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-[3-(1,2-dihydrocarbazol-9-yl)-5-phenanthren-2-ylphenyl]phenyl]-N,4-diphenylaniline 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-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167211221
N-[4-[3-(1,2-dihydrocarbazol-9-yl)-5-phenanthren-9-ylphenyl]phenyl]-2-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 170273206
4-(3-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]aniline
CID 166571246
N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[3-(9-phenyl-7,8-dihydrocarbazol-4-yl)phenyl]aniline
CID 167195042
N-[4-(3-carbazol-9-yl-5-naphthalen-2-ylphenyl)phenyl]-4-naphthalen-2-yl-N-phenylaniline
CID 170271819
N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-ylaniline
CID 174280764
9-(4-carbazol-9-ylphenyl)-14-(3,5-diphenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),18-octaene
CID 130184110
N-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 170272033
N,N-bis[4-(4-phenanthren-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 135299426
N,N-bis(4-phenanthren-2-ylphenyl)-4-phenylaniline
CID 135299389
3-phenyl-4-(9-phenyl-7,8-dihydrocarbazol-3-yl)-N,N-bis(4-phenylphenyl)aniline
CID 134320780
9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-(9-phenylphenanthren-2-yl)-1,2-dihydrocarbazole
CID 144976799

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(1,2-dihydrocarbazol-9-yl)-5-phenanthren-2-ylphenyl]phenyl]-N,4-diphenylaniline?
The IUPAC name of N-[4-[3-(1,2-dihydrocarbazol-9-yl)-5-phenanthren-2-ylphenyl]phenyl]-N,4-diphenylaniline (CID 170273179) is N-[4-[3-(1,2-dihydrocarbazol-9-yl)-5-phenanthren-2-ylphenyl]phenyl]-N,4-diphenylaniline.
What is the SMILES notation for N-[4-[3-(1,2-dihydrocarbazol-9-yl)-5-phenanthren-2-ylphenyl]phenyl]-N,4-diphenylaniline?
The canonical SMILES for N-[4-[3-(1,2-dihydrocarbazol-9-yl)-5-phenanthren-2-ylphenyl]phenyl]-N,4-diphenylaniline is C1=Cc2c(n(-c3cc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4)cc(-c4ccc5c(ccc6ccccc65)c4)c3)c3ccccc23)CC1.
What is the InChIKey of N-[4-[3-(1,2-dihydrocarbazol-9-yl)-5-phenanthren-2-ylphenyl]phenyl]-N,4-diphenylaniline?
The InChIKey is YPECJHPQMKLCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40N2/c1-3-13-39(14-4-1)40-25-30-48(31-26-40)57(47-16-5-2-6-17-47)49-32-27-41(28-33-49)45-36-46(43-29-34-52-44(35-43)24-23-42-15-7-8-18-51(42)52)38-50(37-45)58-55-21-11-9-19-53(55)54-20-10-12-22-56(54)58/h1-11,13-21,23-38H,12,22H2.
What are the key properties of N-[4-[3-(1,2-dihydrocarbazol-9-yl)-5-phenanthren-2-ylphenyl]phenyl]-N,4-diphenylaniline?
N-[4-[3-(1,2-dihydrocarbazol-9-yl)-5-phenanthren-2-ylphenyl]phenyl]-N,4-diphenylaniline has a molecular weight of 740.95 g/mol, XLogP of 15.37, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(1,2-dihydrocarbazol-9-yl)-5-phenanthren-2-ylphenyl]phenyl]-N,4-diphenylaniline is sourced from PubChem (CID 170273179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).