N-[4-[4-(4-bromophenyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4-methyl-N-(4-methylphenyl)aniline

C32H30BrN — CID 123430407

IUPACN-[4-[4-(4-bromophenyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4-methyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(C2=CC=C(C3=CC=C(c4ccc(Br)cc4)CC3)CC2)c2ccc(C)cc2)cc1
InChIInChI=1S/C32H30BrN/c1-23-3-17-30(18-4-23)34(31-19-5-24(2)6-20-31)32-21-13-28(14-22-32)26-9-7-25(8-10-26)27-11-15-29(33)16-12-27/h3-7,9,11-13,15-21H,8,10,14,22H2,1-2H3
InChIKeyRLCHGQBBQSSWRX-UHFFFAOYSA-N
MW508.50 g/mol
LogP9.61
Rot. Bonds5

About N-[4-[4-(4-bromophenyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4-methyl-N-(4-methylphenyl)aniline

N-[4-[4-(4-bromophenyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4-methyl-N-(4-methylphenyl)aniline (PubChem CID 123430407) has the molecular formula C32H30BrN and a molecular weight of 508.50 g/mol. Its IUPAC name is N-[4-[4-(4-bromophenyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4-methyl-N-(4-methylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[4-(4-bromophenyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4-methyl-N-(4-methylphenyl)aniline
PubChem CID123430407
Molecular FormulaC32H30BrN
Molecular Weight508.50 g/mol
Exact Mass507.16
IUPAC NameN-[4-[4-(4-bromophenyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4-methyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(C2=CC=C(C3=CC=C(c4ccc(Br)cc4)CC3)CC2)c2ccc(C)cc2)cc1
InChIInChI=1S/C32H30BrN/c1-23-3-17-30(18-4-23)34(31-19-5-24(2)6-20-31)32-21-13-28(14-22-32)26-9-7-25(8-10-26)27-11-15-29(33)16-12-27/h3-7,9,11-13,15-21H,8,10,14,22H2,1-2H3
InChIKeyRLCHGQBBQSSWRX-UHFFFAOYSA-N
XLogP9.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.50
LogP ≤ 59.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-bromophenyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4-methyl-N-(4-methylphenyl)aniline?
The IUPAC name of N-[4-[4-(4-bromophenyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4-methyl-N-(4-methylphenyl)aniline (CID 123430407) is N-[4-[4-(4-bromophenyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4-methyl-N-(4-methylphenyl)aniline.
What is the SMILES notation for N-[4-[4-(4-bromophenyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4-methyl-N-(4-methylphenyl)aniline?
The canonical SMILES for N-[4-[4-(4-bromophenyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4-methyl-N-(4-methylphenyl)aniline is Cc1ccc(N(C2=CC=C(C3=CC=C(c4ccc(Br)cc4)CC3)CC2)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[4-[4-(4-bromophenyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4-methyl-N-(4-methylphenyl)aniline?
The InChIKey is RLCHGQBBQSSWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30BrN/c1-23-3-17-30(18-4-23)34(31-19-5-24(2)6-20-31)32-21-13-28(14-22-32)26-9-7-25(8-10-26)27-11-15-29(33)16-12-27/h3-7,9,11-13,15-21H,8,10,14,22H2,1-2H3.
What are the key properties of N-[4-[4-(4-bromophenyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4-methyl-N-(4-methylphenyl)aniline?
N-[4-[4-(4-bromophenyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4-methyl-N-(4-methylphenyl)aniline has a molecular weight of 508.50 g/mol, XLogP of 9.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-bromophenyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4-methyl-N-(4-methylphenyl)aniline is sourced from PubChem (CID 123430407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).