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

C182H128N4 — CID 159059412

IUPAC3-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
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3cccc(-c4cc5ccccc5c5ccccc45)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4cc5ccccc5c5ccccc45)c3)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(-c4cccc(-c5ccccc5)c4)c3)c3cccc(-c4cc5ccccc5c5ccccc45)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4cc5ccccc5c5ccccc45)c3)cc2)cc1
InChIInChI=1S/2C50H35N.C44H31N.C38H27N/c1-3-14-36(15-4-1)38-28-30-44(31-29-38)51(45-23-12-21-41(33-45)40-20-11-19-39(32-40)37-16-5-2-6-17-37)46-24-13-22-42(34-46)50-35-43-18-7-8-25-47(43)48-26-9-10-27-49(48)50;1-3-13-36(14-4-1)38-25-29-44(30-26-38)51(45-31-27-39(28-32-45)41-19-11-18-40(33-41)37-15-5-2-6-16-37)46-21-12-20-42(34-46)50-35-43-17-7-8-22-47(43)48-23-9-10-24-49(48)50;1-3-12-32(13-4-1)34-22-26-38(27-23-34)45(39-28-24-35(25-29-39)33-14-5-2-6-15-33)40-18-11-17-36(30-40)44-31-37-16-7-8-19-41(37)42-20-9-10-21-43(42)44;1-3-12-28(13-4-1)29-22-24-33(25-23-29)39(32-16-5-2-6-17-32)34-18-11-15-30(26-34)38-27-31-14-7-8-19-35(31)36-20-9-10-21-37(36)38/h2*1-35H;1-31H;1-27H
InChIKeyJYGPUKSDUKVFIT-UHFFFAOYSA-N
MW2371.05 g/mol
LogP51.52
Rot. Bonds25

About 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

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 (PubChem CID 159059412) has the molecular formula C182H128N4 and a molecular weight of 2371.05 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID159059412
Molecular FormulaC182H128N4
Molecular Weight2371.05 g/mol
Exact Mass2369.01
IUPAC Name3-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
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3cccc(-c4cc5ccccc5c5ccccc45)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4cc5ccccc5c5ccccc45)c3)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(-c4cccc(-c5ccccc5)c4)c3)c3cccc(-c4cc5ccccc5c5ccccc45)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4cc5ccccc5c5ccccc45)c3)cc2)cc1
InChIInChI=1S/2C50H35N.C44H31N.C38H27N/c1-3-14-36(15-4-1)38-28-30-44(31-29-38)51(45-23-12-21-41(33-45)40-20-11-19-39(32-40)37-16-5-2-6-17-37)46-24-13-22-42(34-46)50-35-43-18-7-8-25-47(43)48-26-9-10-27-49(48)50;1-3-13-36(14-4-1)38-25-29-44(30-26-38)51(45-31-27-39(28-32-45)41-19-11-18-40(33-41)37-15-5-2-6-16-37)46-21-12-20-42(34-46)50-35-43-17-7-8-22-47(43)48-23-9-10-24-49(48)50;1-3-12-32(13-4-1)34-22-26-38(27-23-34)45(39-28-24-35(25-29-39)33-14-5-2-6-15-33)40-18-11-17-36(30-40)44-31-37-16-7-8-19-41(37)42-20-9-10-21-43(42)44;1-3-12-28(13-4-1)29-22-24-33(25-23-29)39(32-16-5-2-6-17-32)34-18-11-15-30(26-34)38-27-31-14-7-8-19-35(31)36-20-9-10-21-37(36)38/h2*1-35H;1-31H;1-27H
InChIKeyJYGPUKSDUKVFIT-UHFFFAOYSA-N
XLogP51.52
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds25
Heavy Atoms186
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002371.05
LogP ≤ 551.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

N-(4-phenanthren-9-ylphenyl)-N-[4-(3-phenanthren-9-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 166956539
3-phenanthren-9-yl-N-(3-phenanthren-9-ylphenyl)-N-phenylaniline
CID 142614567
3-phenanthren-3-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 142614449
3-phenanthren-9-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 142614555
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
3-phenanthren-9-yl-N,N-bis(3-phenanthren-9-ylphenyl)aniline
CID 20735938
N-(3-phenanthren-9-ylphenyl)-2,6-diphenyl-N-(4-phenylphenyl)aniline
CID 177079964
3-(3,4-diphenylphenyl)-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline
CID 164832159
3-chrysen-6-yl-N-phenyl-N-(4-phenylphenyl)aniline
CID 170141071
N-(4-naphthalen-1-ylphenyl)-3-phenanthren-9-yl-N-(3-phenanthren-9-ylphenyl)aniline
CID 162481190
3-naphthalen-1-yl-N-(3-phenanthren-9-ylphenyl)-N-phenylaniline
CID 166566666

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3cccc(-c4cc5ccccc5c5ccccc45)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4cc5ccccc5c5ccccc45)c3)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(-c4cccc(-c5ccccc5)c4)c3)c3cccc(-c4cc5ccccc5c5ccccc45)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4cc5ccccc5c5ccccc45)c3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is JYGPUKSDUKVFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C50H35N.C44H31N.C38H27N/c1-3-14-36(15-4-1)38-28-30-44(31-29-38)51(45-23-12-21-41(33-45)40-20-11-19-39(32-40)37-16-5-2-6-17-37)46-24-13-22-42(34-46)50-35-43-18-7-8-25-47(43)48-26-9-10-27-49(48)50;1-3-13-36(14-4-1)38-25-29-44(30-26-38)51(45-31-27-39(28-32-45)41-19-11-18-40(33-41)37-15-5-2-6-16-37)46-21-12-20-42(34-46)50-35-43-17-7-8-22-47(43)48-23-9-10-24-49(48)50;1-3-12-32(13-4-1)34-22-26-38(27-23-34)45(39-28-24-35(25-29-39)33-14-5-2-6-15-33)40-18-11-17-36(30-40)44-31-37-16-7-8-19-41(37)42-20-9-10-21-43(42)44;1-3-12-28(13-4-1)29-22-24-33(25-23-29)39(32-16-5-2-6-17-32)34-18-11-15-30(26-34)38-27-31-14-7-8-19-35(31)36-20-9-10-21-37(36)38/h2*1-35H;1-31H;1-27H.
What are the key properties of 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?
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 has a molecular weight of 2371.05 g/mol, XLogP of 51.52, 25 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159059412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).