2-phenyl-N,N-bis(3-phenylphenyl)aniline;4-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;2-phenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline

C126H93N3 — CID 157451830

IUPAC2-phenyl-N,N-bis(3-phenylphenyl)aniline;4-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;2-phenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)cc1.c1ccc(-c2cccc(N(c3cccc(-c4ccccc4)c3)c3ccccc3-c3ccccc3)c2)cc1.c1ccc(-c2cccc(N(c3ccccc3-c3ccccc3)c3ccccc3-c3ccccc3)c2)cc1
InChIInChI=1S/C54H39N.2C36H27N/c1-4-10-40(11-5-1)43-16-22-46(23-17-43)49-28-34-52(35-29-49)55(53-36-30-50(31-37-53)47-24-18-44(19-25-47)41-12-6-2-7-13-41)54-38-32-51(33-39-54)48-26-20-45(21-27-48)42-14-8-3-9-15-42;1-4-15-28(16-5-1)31-21-14-22-32(27-31)37(35-25-12-10-23-33(35)29-17-6-2-7-18-29)36-26-13-11-24-34(36)30-19-8-3-9-20-30;1-4-14-28(15-5-1)31-20-12-22-33(26-31)37(34-23-13-21-32(27-34)29-16-6-2-7-17-29)36-25-11-10-24-35(36)30-18-8-3-9-19-30/h1-39H;2*1-27H
InChIKeyBSWWIUNTSLMUNC-UHFFFAOYSA-N
MW1649.15 g/mol
LogP35.47
Rot. Bonds21

About 2-phenyl-N,N-bis(3-phenylphenyl)aniline;4-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;2-phenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline

2-phenyl-N,N-bis(3-phenylphenyl)aniline;4-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;2-phenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline (PubChem CID 157451830) has the molecular formula C126H93N3 and a molecular weight of 1649.15 g/mol. Its IUPAC name is 2-phenyl-N,N-bis(3-phenylphenyl)aniline;4-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;2-phenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline.

Molecular Properties

Compound Name2-phenyl-N,N-bis(3-phenylphenyl)aniline;4-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;2-phenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
PubChem CID157451830
Molecular FormulaC126H93N3
Molecular Weight1649.15 g/mol
Exact Mass1647.74
IUPAC Name2-phenyl-N,N-bis(3-phenylphenyl)aniline;4-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;2-phenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)cc1.c1ccc(-c2cccc(N(c3cccc(-c4ccccc4)c3)c3ccccc3-c3ccccc3)c2)cc1.c1ccc(-c2cccc(N(c3ccccc3-c3ccccc3)c3ccccc3-c3ccccc3)c2)cc1
InChIInChI=1S/C54H39N.2C36H27N/c1-4-10-40(11-5-1)43-16-22-46(23-17-43)49-28-34-52(35-29-49)55(53-36-30-50(31-37-53)47-24-18-44(19-25-47)41-12-6-2-7-13-41)54-38-32-51(33-39-54)48-26-20-45(21-27-48)42-14-8-3-9-15-42;1-4-15-28(16-5-1)31-21-14-22-32(27-31)37(35-25-12-10-23-33(35)29-17-6-2-7-18-29)36-26-13-11-24-34(36)30-19-8-3-9-20-30;1-4-14-28(15-5-1)31-20-12-22-33(26-31)37(34-23-13-21-32(27-34)29-16-6-2-7-17-29)36-25-11-10-24-35(36)30-18-8-3-9-19-30/h1-39H;2*1-27H
InChIKeyBSWWIUNTSLMUNC-UHFFFAOYSA-N
XLogP35.47
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms129
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001649.15
LogP ≤ 535.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-phenyl-N,N-bis(3-phenylphenyl)aniline;4-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;2-phenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline with MolForge

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Related Compounds

2-phenyl-N-(3-phenylphenyl)-N-[4-[3-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 118924577
2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 159359391
N-(3-phenylphenyl)-N-(4-phenylphenyl)-2-[2-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]aniline
CID 139322197
2-phenyl-N-(2-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;3-phenyl-N-(3-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine
CID 159522014
N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502893
N-[4-(4-bromophenyl)phenyl]-2-phenyl-N-(3-phenylphenyl)aniline
CID 142746533
N,2-diphenyl-N-[4-[3-[3-[4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]aniline;N,3-diphenyl-N-[4-[3-[3-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]aniline;N-[4-[3-[3-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-phenyl-N-(4-phenylphenyl)-3-[3-[3-[3-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158453384
3-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121386998
N-(3-naphthalen-2-ylphenyl)-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline
CID 167271677
3-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N-(4-phenylphenyl)-N-[4-[2-(3-phenylphenyl)phenyl]phenyl]aniline;3-phenyl-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 161496261
3-(2-phenylphenyl)-N,N-bis[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 146665629
N-[4-[3,5-bis[4-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]-2-phenyl-N-(2-phenylphenyl)aniline
CID 87182000

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N,N-bis(3-phenylphenyl)aniline;4-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;2-phenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline?
The IUPAC name of 2-phenyl-N,N-bis(3-phenylphenyl)aniline;4-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;2-phenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline (CID 157451830) is 2-phenyl-N,N-bis(3-phenylphenyl)aniline;4-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;2-phenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline.
What is the SMILES notation for 2-phenyl-N,N-bis(3-phenylphenyl)aniline;4-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;2-phenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline?
The canonical SMILES for 2-phenyl-N,N-bis(3-phenylphenyl)aniline;4-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;2-phenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)cc1.c1ccc(-c2cccc(N(c3cccc(-c4ccccc4)c3)c3ccccc3-c3ccccc3)c2)cc1.c1ccc(-c2cccc(N(c3ccccc3-c3ccccc3)c3ccccc3-c3ccccc3)c2)cc1.
What is the InChIKey of 2-phenyl-N,N-bis(3-phenylphenyl)aniline;4-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;2-phenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline?
The InChIKey is BSWWIUNTSLMUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39N.2C36H27N/c1-4-10-40(11-5-1)43-16-22-46(23-17-43)49-28-34-52(35-29-49)55(53-36-30-50(31-37-53)47-24-18-44(19-25-47)41-12-6-2-7-13-41)54-38-32-51(33-39-54)48-26-20-45(21-27-48)42-14-8-3-9-15-42;1-4-15-28(16-5-1)31-21-14-22-32(27-31)37(35-25-12-10-23-33(35)29-17-6-2-7-18-29)36-26-13-11-24-34(36)30-19-8-3-9-20-30;1-4-14-28(15-5-1)31-20-12-22-33(26-31)37(34-23-13-21-32(27-34)29-16-6-2-7-17-29)36-25-11-10-24-35(36)30-18-8-3-9-19-30/h1-39H;2*1-27H.
What are the key properties of 2-phenyl-N,N-bis(3-phenylphenyl)aniline;4-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;2-phenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline?
2-phenyl-N,N-bis(3-phenylphenyl)aniline;4-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;2-phenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline has a molecular weight of 1649.15 g/mol, XLogP of 35.47, 21 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N,N-bis(3-phenylphenyl)aniline;4-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;2-phenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline is sourced from PubChem (CID 157451830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).