2-[3-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-N,N-bis(3-phenylphenyl)aniline

C43H35N — CID 144663158

IUPAC2-[3-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-N,N-bis(3-phenylphenyl)aniline
SMILESCC1C=C(c2cccc(-c3ccccc3N(c3cccc(-c4ccccc4)c3)c3cccc(-c4ccccc4)c3)c2)C=CC1
InChIInChI=1S/C43H35N/c1-32-14-10-19-35(28-32)36-20-11-23-39(29-36)42-26-8-9-27-43(42)44(40-24-12-21-37(30-40)33-15-4-2-5-16-33)41-25-13-22-38(31-41)34-17-6-3-7-18-34/h2-13,15-32H,14H2,1H3
InChIKeyYEYMYXVPUGGAAF-UHFFFAOYSA-N
MW565.76 g/mol
LogP12.14
Rot. Bonds7

About 2-[3-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-N,N-bis(3-phenylphenyl)aniline

2-[3-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-N,N-bis(3-phenylphenyl)aniline (PubChem CID 144663158) has the molecular formula C43H35N and a molecular weight of 565.76 g/mol. Its IUPAC name is 2-[3-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-N,N-bis(3-phenylphenyl)aniline.

Molecular Properties

Compound Name2-[3-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-N,N-bis(3-phenylphenyl)aniline
PubChem CID144663158
Molecular FormulaC43H35N
Molecular Weight565.76 g/mol
Exact Mass565.28
IUPAC Name2-[3-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-N,N-bis(3-phenylphenyl)aniline
SMILESCC1C=C(c2cccc(-c3ccccc3N(c3cccc(-c4ccccc4)c3)c3cccc(-c4ccccc4)c3)c2)C=CC1
InChIInChI=1S/C43H35N/c1-32-14-10-19-35(28-32)36-20-11-23-39(29-36)42-26-8-9-27-43(42)44(40-24-12-21-37(30-40)33-15-4-2-5-16-33)41-25-13-22-38(31-41)34-17-6-3-7-18-34/h2-13,15-32H,14H2,1H3
InChIKeyYEYMYXVPUGGAAF-UHFFFAOYSA-N
XLogP12.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.76
LogP ≤ 512.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-methylcyclohexa-1,5-dien-1-yl)-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 134219894
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
2-(3,5-diphenylphenyl)-N,N-bis(3-phenylphenyl)aniline;3,5-diphenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline;ethane
CID 145096303
N-(3-naphthalen-1-ylphenyl)-N,2-bis(3-phenylphenyl)aniline
CID 167324216
2-phenyl-N-(3-phenylphenyl)-N-[4-[3-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 118924577
2-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline
CID 167271683
N-(3-phenylphenyl)-N-(4-phenylphenyl)-2-[2-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]aniline
CID 139322197
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
2-methyl-4-[3-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-6-phenylpyrimidine
CID 138636136
3-methyl-4-[2-methyl-4-(3-phenyl-N-(2-phenylphenyl)anilino)phenyl]-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 121322768
N-(3-naphthalen-2-ylphenyl)-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline
CID 167271677
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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-N,N-bis(3-phenylphenyl)aniline?
The IUPAC name of 2-[3-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-N,N-bis(3-phenylphenyl)aniline (CID 144663158) is 2-[3-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-N,N-bis(3-phenylphenyl)aniline.
What is the SMILES notation for 2-[3-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-N,N-bis(3-phenylphenyl)aniline?
The canonical SMILES for 2-[3-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-N,N-bis(3-phenylphenyl)aniline is CC1C=C(c2cccc(-c3ccccc3N(c3cccc(-c4ccccc4)c3)c3cccc(-c4ccccc4)c3)c2)C=CC1.
What is the InChIKey of 2-[3-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-N,N-bis(3-phenylphenyl)aniline?
The InChIKey is YEYMYXVPUGGAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H35N/c1-32-14-10-19-35(28-32)36-20-11-23-39(29-36)42-26-8-9-27-43(42)44(40-24-12-21-37(30-40)33-15-4-2-5-16-33)41-25-13-22-38(31-41)34-17-6-3-7-18-34/h2-13,15-32H,14H2,1H3.
What are the key properties of 2-[3-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-N,N-bis(3-phenylphenyl)aniline?
2-[3-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-N,N-bis(3-phenylphenyl)aniline has a molecular weight of 565.76 g/mol, XLogP of 12.14, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-N,N-bis(3-phenylphenyl)aniline is sourced from PubChem (CID 144663158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).