N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-(2-propylphenyl)aniline

C39H32N2 — CID 166895085

IUPACN-[4-(4-carbazol-9-ylphenyl)phenyl]-2-(2-propylphenyl)aniline
SMILESCCCc1ccccc1-c1ccccc1Nc1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C39H32N2/c1-2-11-30-12-3-4-13-33(30)34-14-5-8-17-37(34)40-31-24-20-28(21-25-31)29-22-26-32(27-23-29)41-38-18-9-6-15-35(38)36-16-7-10-19-39(36)41/h3-10,12-27,40H,2,11H2,1H3
InChIKeyLKZSVGMNNSNSBA-UHFFFAOYSA-N
MW528.70 g/mol
LogP10.81
Rot. Bonds7

About N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-(2-propylphenyl)aniline

N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-(2-propylphenyl)aniline (PubChem CID 166895085) has the molecular formula C39H32N2 and a molecular weight of 528.70 g/mol. Its IUPAC name is N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-(2-propylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(4-carbazol-9-ylphenyl)phenyl]-2-(2-propylphenyl)aniline
PubChem CID166895085
Molecular FormulaC39H32N2
Molecular Weight528.70 g/mol
Exact Mass528.26
IUPAC NameN-[4-(4-carbazol-9-ylphenyl)phenyl]-2-(2-propylphenyl)aniline
SMILESCCCc1ccccc1-c1ccccc1Nc1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C39H32N2/c1-2-11-30-12-3-4-13-33(30)34-14-5-8-17-37(34)40-31-24-20-28(21-25-31)29-22-26-32(27-23-29)41-38-18-9-6-15-35(38)36-16-7-10-19-39(36)41/h3-10,12-27,40H,2,11H2,1H3
InChIKeyLKZSVGMNNSNSBA-UHFFFAOYSA-N
XLogP10.81
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.70
LogP ≤ 510.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-(4-carbazol-9-ylphenyl)-2,5-dimethylphenyl]phenyl]-2-(2-methylphenyl)aniline
CID 118033701
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine
CID 71249287
N-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenylaniline
CID 134380568
ethane;9-[4-[4-[2-[2-(2-methylphenyl)phenyl]ethyl]phenyl]phenyl]carbazole
CID 143943145
5-carbazol-9-yl-2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline
CID 163631547
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;ethane
CID 143126318
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
2-(9-methylcarbazol-3-yl)-N-(4-phenylphenyl)aniline
CID 144884258
2-phenyl-4-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
CID 118907856
N-phenyl-2-[3-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 118907859
1-N-phenyl-4-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)benzene-1,4-diamine
CID 175396320

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-(2-propylphenyl)aniline?
The IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-(2-propylphenyl)aniline (CID 166895085) is N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-(2-propylphenyl)aniline.
What is the SMILES notation for N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-(2-propylphenyl)aniline?
The canonical SMILES for N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-(2-propylphenyl)aniline is CCCc1ccccc1-c1ccccc1Nc1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.
What is the InChIKey of N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-(2-propylphenyl)aniline?
The InChIKey is LKZSVGMNNSNSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H32N2/c1-2-11-30-12-3-4-13-33(30)34-14-5-8-17-37(34)40-31-24-20-28(21-25-31)29-22-26-32(27-23-29)41-38-18-9-6-15-35(38)36-16-7-10-19-39(36)41/h3-10,12-27,40H,2,11H2,1H3.
What are the key properties of N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-(2-propylphenyl)aniline?
N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-(2-propylphenyl)aniline has a molecular weight of 528.70 g/mol, XLogP of 10.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-(2-propylphenyl)aniline is sourced from PubChem (CID 166895085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).