N-[4-(9H-carbazol-3-yl)phenyl]-N-phenyl-4-propylaniline

C33H28N2 — CID 59306714

IUPACN-[4-(9H-carbazol-3-yl)phenyl]-N-phenyl-4-propylaniline
SMILESCCCc1ccc(N(c2ccccc2)c2ccc(-c3ccc4[nH]c5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C33H28N2/c1-2-8-24-13-18-28(19-14-24)35(27-9-4-3-5-10-27)29-20-15-25(16-21-29)26-17-22-33-31(23-26)30-11-6-7-12-32(30)34-33/h3-7,9-23,34H,2,8H2,1H3
InChIKeyZGQCXCKCLHLRPS-UHFFFAOYSA-N
MW452.60 g/mol
LogP9.41
Rot. Bonds6

About N-[4-(9H-carbazol-3-yl)phenyl]-N-phenyl-4-propylaniline

N-[4-(9H-carbazol-3-yl)phenyl]-N-phenyl-4-propylaniline (PubChem CID 59306714) has the molecular formula C33H28N2 and a molecular weight of 452.60 g/mol. Its IUPAC name is N-[4-(9H-carbazol-3-yl)phenyl]-N-phenyl-4-propylaniline.

Molecular Properties

Compound NameN-[4-(9H-carbazol-3-yl)phenyl]-N-phenyl-4-propylaniline
PubChem CID59306714
Molecular FormulaC33H28N2
Molecular Weight452.60 g/mol
Exact Mass452.23
IUPAC NameN-[4-(9H-carbazol-3-yl)phenyl]-N-phenyl-4-propylaniline
SMILESCCCc1ccc(N(c2ccccc2)c2ccc(-c3ccc4[nH]c5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C33H28N2/c1-2-8-24-13-18-28(19-14-24)35(27-9-4-3-5-10-27)29-20-15-25(16-21-29)26-17-22-33-31(23-26)30-11-6-7-12-32(30)34-33/h3-7,9-23,34H,2,8H2,1H3
InChIKeyZGQCXCKCLHLRPS-UHFFFAOYSA-N
XLogP9.41
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.60
LogP ≤ 59.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(9H-carbazol-3-yl)-N,N-diphenylaniline;ethane
CID 144639434
bromoethane;4-(9H-carbazol-3-yl)-N,N-diphenylaniline
CID 144639430
N-[4-(9H-carbazol-3-yl)phenyl]-N-phenyl-3-propan-2-ylaniline
CID 59307180
4-[4-[4-[4-(9H-carbazol-3-yl)phenyl]phenyl]phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 153492707
1-N,4-N-diphenyl-1-N,4-N-bis(4-propylphenyl)benzene-1,4-diamine
CID 157362668
9H-carbazole;bis(N,N-diphenylaniline)
CID 174838898
3-[4-(2-methylpropyl)phenyl]-9H-carbazole
CID 66615207
9-N,10-N-diphenyl-9-N,10-N-bis(4-propylphenyl)anthracene-9,10-diamine
CID 161046775
6,7-dimethyl-N-phenyl-N-(4-phenylphenyl)-9H-carbazol-3-amine
CID 143420423
N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methylaniline
CID 58250828
N,N-bis(4-butoxyphenyl)-9H-carbazol-3-amine
CID 142290194
N-[2-(9H-carbazol-3-yl)phenyl]-N,2-diphenylaniline
CID 148771233

Frequently Asked Questions

What is the IUPAC name of N-[4-(9H-carbazol-3-yl)phenyl]-N-phenyl-4-propylaniline?
The IUPAC name of N-[4-(9H-carbazol-3-yl)phenyl]-N-phenyl-4-propylaniline (CID 59306714) is N-[4-(9H-carbazol-3-yl)phenyl]-N-phenyl-4-propylaniline.
What is the SMILES notation for N-[4-(9H-carbazol-3-yl)phenyl]-N-phenyl-4-propylaniline?
The canonical SMILES for N-[4-(9H-carbazol-3-yl)phenyl]-N-phenyl-4-propylaniline is CCCc1ccc(N(c2ccccc2)c2ccc(-c3ccc4[nH]c5ccccc5c4c3)cc2)cc1.
What is the InChIKey of N-[4-(9H-carbazol-3-yl)phenyl]-N-phenyl-4-propylaniline?
The InChIKey is ZGQCXCKCLHLRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28N2/c1-2-8-24-13-18-28(19-14-24)35(27-9-4-3-5-10-27)29-20-15-25(16-21-29)26-17-22-33-31(23-26)30-11-6-7-12-32(30)34-33/h3-7,9-23,34H,2,8H2,1H3.
What are the key properties of N-[4-(9H-carbazol-3-yl)phenyl]-N-phenyl-4-propylaniline?
N-[4-(9H-carbazol-3-yl)phenyl]-N-phenyl-4-propylaniline has a molecular weight of 452.60 g/mol, XLogP of 9.41, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9H-carbazol-3-yl)phenyl]-N-phenyl-4-propylaniline is sourced from PubChem (CID 59306714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).