9-(4-chlorophenyl)phenanthrene;N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenylaniline;N-(4-naphthalen-2-ylphenyl)-3-phenylaniline

C96H67ClN2 — CID 163642945

IUPAC9-(4-chlorophenyl)phenanthrene;N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenylaniline;N-(4-naphthalen-2-ylphenyl)-3-phenylaniline
SMILESClc1ccc(-c2cc3ccccc3c3ccccc23)cc1.c1ccc(-c2cccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c2)cc1.c1ccc(-c2cccc(Nc3ccc(-c4ccc5ccccc5c4)cc3)c2)cc1
InChIInChI=1S/C48H33N.C28H21N.C20H13Cl/c1-2-11-34(12-3-1)39-16-10-17-44(32-39)49(42-27-23-36(24-28-42)40-22-21-35-13-4-5-14-38(35)31-40)43-29-25-37(26-30-43)48-33-41-15-6-7-18-45(41)46-19-8-9-20-47(46)48;1-2-7-21(8-3-1)25-11-6-12-28(20-25)29-27-17-15-23(16-18-27)26-14-13-22-9-4-5-10-24(22)19-26;21-16-11-9-14(10-12-16)20-13-15-5-1-2-6-17(15)18-7-3-4-8-19(18)20/h1-33H;1-20,29H;1-13H
InChIKeyIFVKEIUAEFRWDP-UHFFFAOYSA-N
MW1284.06 g/mol
LogP27.85
Rot. Bonds11

About 9-(4-chlorophenyl)phenanthrene;N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenylaniline;N-(4-naphthalen-2-ylphenyl)-3-phenylaniline

9-(4-chlorophenyl)phenanthrene;N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenylaniline;N-(4-naphthalen-2-ylphenyl)-3-phenylaniline (PubChem CID 163642945) has the molecular formula C96H67ClN2 and a molecular weight of 1284.06 g/mol. Its IUPAC name is 9-(4-chlorophenyl)phenanthrene;N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenylaniline;N-(4-naphthalen-2-ylphenyl)-3-phenylaniline.

Molecular Properties

Compound Name9-(4-chlorophenyl)phenanthrene;N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenylaniline;N-(4-naphthalen-2-ylphenyl)-3-phenylaniline
PubChem CID163642945
Molecular FormulaC96H67ClN2
Molecular Weight1284.06 g/mol
Exact Mass1282.50
IUPAC Name9-(4-chlorophenyl)phenanthrene;N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenylaniline;N-(4-naphthalen-2-ylphenyl)-3-phenylaniline
SMILESClc1ccc(-c2cc3ccccc3c3ccccc23)cc1.c1ccc(-c2cccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c2)cc1.c1ccc(-c2cccc(Nc3ccc(-c4ccc5ccccc5c4)cc3)c2)cc1
InChIInChI=1S/C48H33N.C28H21N.C20H13Cl/c1-2-11-34(12-3-1)39-16-10-17-44(32-39)49(42-27-23-36(24-28-42)40-22-21-35-13-4-5-14-38(35)31-40)43-29-25-37(26-30-43)48-33-41-15-6-7-18-45(41)46-19-8-9-20-47(46)48;1-2-7-21(8-3-1)25-11-6-12-28(20-25)29-27-17-15-23(16-18-27)26-14-13-22-9-4-5-10-24(22)19-26;21-16-11-9-14(10-12-16)20-13-15-5-1-2-6-17(15)18-7-3-4-8-19(18)20/h1-33H;1-20,29H;1-13H
InChIKeyIFVKEIUAEFRWDP-UHFFFAOYSA-N
XLogP27.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms99
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001284.06
LogP ≤ 527.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chrysen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenylaniline
CID 170141257
3-naphthalen-2-yl-N-(3-phenanthren-9-ylphenyl)-N-phenylaniline
CID 166566627
4-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenanthren-9-ylphenyl)phenyl]aniline
CID 163468369
N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]-4-phenylaniline;N-(4-carbazol-9-ylphenyl)-4-phenylaniline;9-[4-(4-chlorophenyl)phenyl]phenanthrene
CID 159139576
N-(4-benzo[c]phenanthren-6-ylphenyl)-3-naphthalen-2-yl-N-(4-phenylphenyl)aniline
CID 167183283
10-phenyl-N-[7-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-N-(3-phenylphenyl)phenanthren-3-amine
CID 174257838
N-(3-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168788963
N-[4-(4-naphthalen-2-yl-3-phenylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-4-phenylaniline
CID 167003685
3-phenanthren-3-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 142614449
N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166742019
3-(3,4-diphenylphenyl)-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline
CID 164832159
3-phenanthren-9-yl-N,N-bis(4-phenylphenyl)aniline;3-phenanthren-9-yl-N-phenyl-N-(4-phenylphenyl)aniline;N-(3-phenanthren-9-ylphenyl)-3-(3-phenylphenyl)-N-(4-phenylphenyl)aniline;3-phenanthren-9-yl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 159059412

Frequently Asked Questions

What is the IUPAC name of 9-(4-chlorophenyl)phenanthrene;N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenylaniline;N-(4-naphthalen-2-ylphenyl)-3-phenylaniline?
The IUPAC name of 9-(4-chlorophenyl)phenanthrene;N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenylaniline;N-(4-naphthalen-2-ylphenyl)-3-phenylaniline (CID 163642945) is 9-(4-chlorophenyl)phenanthrene;N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenylaniline;N-(4-naphthalen-2-ylphenyl)-3-phenylaniline.
What is the SMILES notation for 9-(4-chlorophenyl)phenanthrene;N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenylaniline;N-(4-naphthalen-2-ylphenyl)-3-phenylaniline?
The canonical SMILES for 9-(4-chlorophenyl)phenanthrene;N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenylaniline;N-(4-naphthalen-2-ylphenyl)-3-phenylaniline is Clc1ccc(-c2cc3ccccc3c3ccccc23)cc1.c1ccc(-c2cccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c2)cc1.c1ccc(-c2cccc(Nc3ccc(-c4ccc5ccccc5c4)cc3)c2)cc1.
What is the InChIKey of 9-(4-chlorophenyl)phenanthrene;N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenylaniline;N-(4-naphthalen-2-ylphenyl)-3-phenylaniline?
The InChIKey is IFVKEIUAEFRWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N.C28H21N.C20H13Cl/c1-2-11-34(12-3-1)39-16-10-17-44(32-39)49(42-27-23-36(24-28-42)40-22-21-35-13-4-5-14-38(35)31-40)43-29-25-37(26-30-43)48-33-41-15-6-7-18-45(41)46-19-8-9-20-47(46)48;1-2-7-21(8-3-1)25-11-6-12-28(20-25)29-27-17-15-23(16-18-27)26-14-13-22-9-4-5-10-24(22)19-26;21-16-11-9-14(10-12-16)20-13-15-5-1-2-6-17(15)18-7-3-4-8-19(18)20/h1-33H;1-20,29H;1-13H.
What are the key properties of 9-(4-chlorophenyl)phenanthrene;N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenylaniline;N-(4-naphthalen-2-ylphenyl)-3-phenylaniline?
9-(4-chlorophenyl)phenanthrene;N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenylaniline;N-(4-naphthalen-2-ylphenyl)-3-phenylaniline has a molecular weight of 1284.06 g/mol, XLogP of 27.85, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-chlorophenyl)phenanthrene;N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenylaniline;N-(4-naphthalen-2-ylphenyl)-3-phenylaniline is sourced from PubChem (CID 163642945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).