N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[1-(2-phenylphenyl)-9H-carbazol-3-yl]aniline

C42H32N2 — CID 145110255

IUPACN-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[1-(2-phenylphenyl)-9H-carbazol-3-yl]aniline
SMILESC1=CCC(N(c2ccccc2)c2ccc(-c3cc(-c4ccccc4-c4ccccc4)c4[nH]c5ccccc5c4c3)cc2)C=C1
InChIInChI=1S/C42H32N2/c1-4-14-31(15-5-1)36-20-10-11-21-37(36)39-28-32(29-40-38-22-12-13-23-41(38)43-42(39)40)30-24-26-35(27-25-30)44(33-16-6-2-7-17-33)34-18-8-3-9-19-34/h1-18,20-29,34,43H,19H2
InChIKeyIOITWOUKXRILIN-UHFFFAOYSA-N
MW564.73 g/mol
LogP11.34
Rot. Bonds6

About N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[1-(2-phenylphenyl)-9H-carbazol-3-yl]aniline

N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[1-(2-phenylphenyl)-9H-carbazol-3-yl]aniline (PubChem CID 145110255) has the molecular formula C42H32N2 and a molecular weight of 564.73 g/mol. Its IUPAC name is N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[1-(2-phenylphenyl)-9H-carbazol-3-yl]aniline.

Molecular Properties

Compound NameN-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[1-(2-phenylphenyl)-9H-carbazol-3-yl]aniline
PubChem CID145110255
Molecular FormulaC42H32N2
Molecular Weight564.73 g/mol
Exact Mass564.26
IUPAC NameN-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[1-(2-phenylphenyl)-9H-carbazol-3-yl]aniline
SMILESC1=CCC(N(c2ccccc2)c2ccc(-c3cc(-c4ccccc4-c4ccccc4)c4[nH]c5ccccc5c4c3)cc2)C=C1
InChIInChI=1S/C42H32N2/c1-4-14-31(15-5-1)36-20-10-11-21-37(36)39-28-32(29-40-38-22-12-13-23-41(38)43-42(39)40)30-24-26-35(27-25-30)44(33-16-6-2-7-17-33)34-18-8-3-9-19-34/h1-18,20-29,34,43H,19H2
InChIKeyIOITWOUKXRILIN-UHFFFAOYSA-N
XLogP11.34
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.73
LogP ≤ 511.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[1-(2-phenylphenyl)-9H-carbazol-3-yl]aniline?
The IUPAC name of N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[1-(2-phenylphenyl)-9H-carbazol-3-yl]aniline (CID 145110255) is N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[1-(2-phenylphenyl)-9H-carbazol-3-yl]aniline.
What is the SMILES notation for N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[1-(2-phenylphenyl)-9H-carbazol-3-yl]aniline?
The canonical SMILES for N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[1-(2-phenylphenyl)-9H-carbazol-3-yl]aniline is C1=CCC(N(c2ccccc2)c2ccc(-c3cc(-c4ccccc4-c4ccccc4)c4[nH]c5ccccc5c4c3)cc2)C=C1.
What is the InChIKey of N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[1-(2-phenylphenyl)-9H-carbazol-3-yl]aniline?
The InChIKey is IOITWOUKXRILIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32N2/c1-4-14-31(15-5-1)36-20-10-11-21-37(36)39-28-32(29-40-38-22-12-13-23-41(38)43-42(39)40)30-24-26-35(27-25-30)44(33-16-6-2-7-17-33)34-18-8-3-9-19-34/h1-18,20-29,34,43H,19H2.
What are the key properties of N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[1-(2-phenylphenyl)-9H-carbazol-3-yl]aniline?
N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[1-(2-phenylphenyl)-9H-carbazol-3-yl]aniline has a molecular weight of 564.73 g/mol, XLogP of 11.34, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[1-(2-phenylphenyl)-9H-carbazol-3-yl]aniline is sourced from PubChem (CID 145110255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).