N-phenyl-4-(9-phenylcarbazol-3-yl)-N-propan-2-ylaniline

C33H28N2 — CID 134236462

IUPACN-phenyl-4-(9-phenylcarbazol-3-yl)-N-propan-2-ylaniline
SMILESCC(C)N(c1ccccc1)c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C33H28N2/c1-24(2)34(27-11-5-3-6-12-27)29-20-17-25(18-21-29)26-19-22-33-31(23-26)30-15-9-10-16-32(30)35(33)28-13-7-4-8-14-28/h3-24H,1-2H3
InChIKeyLXKKGYSGKXXGGX-UHFFFAOYSA-N
MW452.60 g/mol
LogP9.00
Rot. Bonds5

About N-phenyl-4-(9-phenylcarbazol-3-yl)-N-propan-2-ylaniline

N-phenyl-4-(9-phenylcarbazol-3-yl)-N-propan-2-ylaniline (PubChem CID 134236462) has the molecular formula C33H28N2 and a molecular weight of 452.60 g/mol. Its IUPAC name is N-phenyl-4-(9-phenylcarbazol-3-yl)-N-propan-2-ylaniline.

Molecular Properties

Compound NameN-phenyl-4-(9-phenylcarbazol-3-yl)-N-propan-2-ylaniline
PubChem CID134236462
Molecular FormulaC33H28N2
Molecular Weight452.60 g/mol
Exact Mass452.23
IUPAC NameN-phenyl-4-(9-phenylcarbazol-3-yl)-N-propan-2-ylaniline
SMILESCC(C)N(c1ccccc1)c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C33H28N2/c1-24(2)34(27-11-5-3-6-12-27)29-20-17-25(18-21-29)26-19-22-33-31(23-26)30-15-9-10-16-32(30)35(33)28-13-7-4-8-14-28/h3-24H,1-2H3
InChIKeyLXKKGYSGKXXGGX-UHFFFAOYSA-N
XLogP9.00
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.60
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 177275836
N-[4-(3,5-diphenylphenyl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 70808563
N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 66585271
3,6-bis(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158023150
N-(4-tert-butylphenyl)-9-phenyl-N-propan-2-ylcarbazol-3-amine
CID 166947089
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-(9-phenylcarbazol-3-yl)-N-propan-2-ylaniline?
The IUPAC name of N-phenyl-4-(9-phenylcarbazol-3-yl)-N-propan-2-ylaniline (CID 134236462) is N-phenyl-4-(9-phenylcarbazol-3-yl)-N-propan-2-ylaniline.
What is the SMILES notation for N-phenyl-4-(9-phenylcarbazol-3-yl)-N-propan-2-ylaniline?
The canonical SMILES for N-phenyl-4-(9-phenylcarbazol-3-yl)-N-propan-2-ylaniline is CC(C)N(c1ccccc1)c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of N-phenyl-4-(9-phenylcarbazol-3-yl)-N-propan-2-ylaniline?
The InChIKey is LXKKGYSGKXXGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28N2/c1-24(2)34(27-11-5-3-6-12-27)29-20-17-25(18-21-29)26-19-22-33-31(23-26)30-15-9-10-16-32(30)35(33)28-13-7-4-8-14-28/h3-24H,1-2H3.
What are the key properties of N-phenyl-4-(9-phenylcarbazol-3-yl)-N-propan-2-ylaniline?
N-phenyl-4-(9-phenylcarbazol-3-yl)-N-propan-2-ylaniline has a molecular weight of 452.60 g/mol, XLogP of 9.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-(9-phenylcarbazol-3-yl)-N-propan-2-ylaniline is sourced from PubChem (CID 134236462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).