N-[4-(9H-carbazol-3-yl)phenyl]-N-phenyl-3-propan-2-ylaniline

C33H28N2 — CID 59307180

IUPACN-[4-(9H-carbazol-3-yl)phenyl]-N-phenyl-3-propan-2-ylaniline
SMILESCC(C)c1cccc(N(c2ccccc2)c2ccc(-c3ccc4[nH]c5ccccc5c4c3)cc2)c1
InChIInChI=1S/C33H28N2/c1-23(2)25-9-8-12-29(21-25)35(27-10-4-3-5-11-27)28-18-15-24(16-19-28)26-17-20-33-31(22-26)30-13-6-7-14-32(30)34-33/h3-23,34H,1-2H3
InChIKeyDMMUGMBXSPKEEP-UHFFFAOYSA-N
MW452.60 g/mol
LogP9.58
Rot. Bonds5

About N-[4-(9H-carbazol-3-yl)phenyl]-N-phenyl-3-propan-2-ylaniline

N-[4-(9H-carbazol-3-yl)phenyl]-N-phenyl-3-propan-2-ylaniline (PubChem CID 59307180) 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-3-propan-2-ylaniline.

Molecular Properties

Compound NameN-[4-(9H-carbazol-3-yl)phenyl]-N-phenyl-3-propan-2-ylaniline
PubChem CID59307180
Molecular FormulaC33H28N2
Molecular Weight452.60 g/mol
Exact Mass452.23
IUPAC NameN-[4-(9H-carbazol-3-yl)phenyl]-N-phenyl-3-propan-2-ylaniline
SMILESCC(C)c1cccc(N(c2ccccc2)c2ccc(-c3ccc4[nH]c5ccccc5c4c3)cc2)c1
InChIInChI=1S/C33H28N2/c1-23(2)25-9-8-12-29(21-25)35(27-10-4-3-5-11-27)28-18-15-24(16-19-28)26-17-20-33-31(22-26)30-13-6-7-14-32(30)34-33/h3-23,34H,1-2H3
InChIKeyDMMUGMBXSPKEEP-UHFFFAOYSA-N
XLogP9.58
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.60
LogP ≤ 59.58
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-4-propylaniline
CID 59306714
3-methyl-N-phenyl-N-[4-[4-(N-(3-propan-2-ylphenyl)anilino)phenyl]phenyl]aniline
CID 166794561
N-[4-(9H-carbazol-3-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 59306861
4-[4-[4-[4-(9H-carbazol-3-yl)phenyl]phenyl]phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 153492707
9H-carbazole;bis(N,N-diphenylaniline)
CID 174838898
6,7-dimethyl-N-phenyl-N-(4-phenylphenyl)-9H-carbazol-3-amine
CID 143420423
16-phenyl-N-(3-propan-2-ylphenyl)-N-(4-propan-2-ylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166032756
N,N-diphenyl-3-[3-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;ethane
CID 159114076
N,N-diphenyl-3-[4-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline;N,N-diphenyl-3-[4-[3-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[3-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 159305688
N,3-diphenyl-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 59090384

Frequently Asked Questions

What is the IUPAC name of N-[4-(9H-carbazol-3-yl)phenyl]-N-phenyl-3-propan-2-ylaniline?
The IUPAC name of N-[4-(9H-carbazol-3-yl)phenyl]-N-phenyl-3-propan-2-ylaniline (CID 59307180) is N-[4-(9H-carbazol-3-yl)phenyl]-N-phenyl-3-propan-2-ylaniline.
What is the SMILES notation for N-[4-(9H-carbazol-3-yl)phenyl]-N-phenyl-3-propan-2-ylaniline?
The canonical SMILES for N-[4-(9H-carbazol-3-yl)phenyl]-N-phenyl-3-propan-2-ylaniline is CC(C)c1cccc(N(c2ccccc2)c2ccc(-c3ccc4[nH]c5ccccc5c4c3)cc2)c1.
What is the InChIKey of N-[4-(9H-carbazol-3-yl)phenyl]-N-phenyl-3-propan-2-ylaniline?
The InChIKey is DMMUGMBXSPKEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28N2/c1-23(2)25-9-8-12-29(21-25)35(27-10-4-3-5-11-27)28-18-15-24(16-19-28)26-17-20-33-31(22-26)30-13-6-7-14-32(30)34-33/h3-23,34H,1-2H3.
What are the key properties of N-[4-(9H-carbazol-3-yl)phenyl]-N-phenyl-3-propan-2-ylaniline?
N-[4-(9H-carbazol-3-yl)phenyl]-N-phenyl-3-propan-2-ylaniline has a molecular weight of 452.60 g/mol, XLogP of 9.58, 5 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-3-propan-2-ylaniline is sourced from PubChem (CID 59307180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).