2-carbazol-9-yl-3-[3-(3-carbazol-9-ylphenyl)phenyl]aniline

C42H29N3 — CID 163757581

IUPAC2-carbazol-9-yl-3-[3-(3-carbazol-9-ylphenyl)phenyl]aniline
SMILESNc1cccc(-c2cccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c2)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C42H29N3/c43-37-21-11-20-32(42(37)45-40-24-7-3-18-35(40)36-19-4-8-25-41(36)45)30-14-9-12-28(26-30)29-13-10-15-31(27-29)44-38-22-5-1-16-33(38)34-17-2-6-23-39(34)44/h1-27H,43H2
InChIKeyLVKNCKGBOFYDFO-UHFFFAOYSA-N
MW575.72 g/mol
LogP10.80
Rot. Bonds4

About 2-carbazol-9-yl-3-[3-(3-carbazol-9-ylphenyl)phenyl]aniline

2-carbazol-9-yl-3-[3-(3-carbazol-9-ylphenyl)phenyl]aniline (PubChem CID 163757581) has the molecular formula C42H29N3 and a molecular weight of 575.72 g/mol. Its IUPAC name is 2-carbazol-9-yl-3-[3-(3-carbazol-9-ylphenyl)phenyl]aniline.

Molecular Properties

Compound Name2-carbazol-9-yl-3-[3-(3-carbazol-9-ylphenyl)phenyl]aniline
PubChem CID163757581
Molecular FormulaC42H29N3
Molecular Weight575.72 g/mol
Exact Mass575.24
IUPAC Name2-carbazol-9-yl-3-[3-(3-carbazol-9-ylphenyl)phenyl]aniline
SMILESNc1cccc(-c2cccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c2)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C42H29N3/c43-37-21-11-20-32(42(37)45-40-24-7-3-18-35(40)36-19-4-8-25-41(36)45)30-14-9-12-28(26-30)29-13-10-15-31(27-29)44-38-22-5-1-16-33(38)34-17-2-6-23-39(34)44/h1-27H,43H2
InChIKeyLVKNCKGBOFYDFO-UHFFFAOYSA-N
XLogP10.80
TPSA35.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.72
LogP ≤ 510.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
CID 23386664
9-[3-[4-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041263
18-[3-(3-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 164795482
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161346231
3-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]-9-(3-phenylphenyl)carbazole;3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-(3-phenylphenyl)carbazole;3-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-(3-phenylphenyl)carbazole
CID 158212129
2-carbazol-9-ylbenzene-1,3-diamine
CID 122584908
2-[2-(9-phenylcarbazol-2-yl)phenyl]-9-(3-phenylphenyl)carbazole
CID 162495147
2-[9-(3-phenylphenyl)carbazol-2-yl]-9-[3-(2-phenylphenyl)phenyl]carbazole
CID 165386034
2-carbazol-9-yl-3-[4-(3-carbazol-9-ylphenyl)phenyl]benzonitrile
CID 155079640
9-[3-(2,3-difluorophenyl)phenyl]carbazole
CID 122431739
9-[3-[3-[5-[3-(3-carbazol-9-ylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]carbazole
CID 122622889
9-[3-[3-(3-carbazol-9-ylphenyl)-5-methylphenyl]phenyl]carbazole
CID 59841971

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-3-[3-(3-carbazol-9-ylphenyl)phenyl]aniline?
The IUPAC name of 2-carbazol-9-yl-3-[3-(3-carbazol-9-ylphenyl)phenyl]aniline (CID 163757581) is 2-carbazol-9-yl-3-[3-(3-carbazol-9-ylphenyl)phenyl]aniline.
What is the SMILES notation for 2-carbazol-9-yl-3-[3-(3-carbazol-9-ylphenyl)phenyl]aniline?
The canonical SMILES for 2-carbazol-9-yl-3-[3-(3-carbazol-9-ylphenyl)phenyl]aniline is Nc1cccc(-c2cccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c2)c1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 2-carbazol-9-yl-3-[3-(3-carbazol-9-ylphenyl)phenyl]aniline?
The InChIKey is LVKNCKGBOFYDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N3/c43-37-21-11-20-32(42(37)45-40-24-7-3-18-35(40)36-19-4-8-25-41(36)45)30-14-9-12-28(26-30)29-13-10-15-31(27-29)44-38-22-5-1-16-33(38)34-17-2-6-23-39(34)44/h1-27H,43H2.
What are the key properties of 2-carbazol-9-yl-3-[3-(3-carbazol-9-ylphenyl)phenyl]aniline?
2-carbazol-9-yl-3-[3-(3-carbazol-9-ylphenyl)phenyl]aniline has a molecular weight of 575.72 g/mol, XLogP of 10.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-3-[3-(3-carbazol-9-ylphenyl)phenyl]aniline is sourced from PubChem (CID 163757581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).