N-(2,4-diphenylphenyl)-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine

C54H37N3 — CID 170286478

IUPACN-(2,4-diphenylphenyl)-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3cccc4c3c3ccccc3n4-c3ccccc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C54H37N3/c1-5-18-38(19-6-1)40-32-35-50(47(36-40)39-20-7-2-8-21-39)57(43-33-34-45-44-26-13-15-28-48(44)56(53(45)37-43)42-24-11-4-12-25-42)52-31-17-30-51-54(52)46-27-14-16-29-49(46)55(51)41-22-9-3-10-23-41/h1-37H
InChIKeyKTMLVOZSNFWKTL-UHFFFAOYSA-N
MW727.91 g/mol
LogP14.68
Rot. Bonds7

About N-(2,4-diphenylphenyl)-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine

N-(2,4-diphenylphenyl)-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine (PubChem CID 170286478) has the molecular formula C54H37N3 and a molecular weight of 727.91 g/mol. Its IUPAC name is N-(2,4-diphenylphenyl)-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine.

Molecular Properties

Compound NameN-(2,4-diphenylphenyl)-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine
PubChem CID170286478
Molecular FormulaC54H37N3
Molecular Weight727.91 g/mol
Exact Mass727.30
IUPAC NameN-(2,4-diphenylphenyl)-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3cccc4c3c3ccccc3n4-c3ccccc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C54H37N3/c1-5-18-38(19-6-1)40-32-35-50(47(36-40)39-20-7-2-8-21-39)57(43-33-34-45-44-26-13-15-28-48(44)56(53(45)37-43)42-24-11-4-12-25-42)52-31-17-30-51-54(52)46-27-14-16-29-49(46)55(51)41-22-9-3-10-23-41/h1-37H
InChIKeyKTMLVOZSNFWKTL-UHFFFAOYSA-N
XLogP14.68
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.91
LogP ≤ 514.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-phenyl-N-(9-phenylcarbazol-4-yl)-N-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-2-amine
CID 170286782
9-phenyl-N-(3-phenylphenyl)-N-[2-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]carbazol-4-amine
CID 177077824
9-phenyl-N-(9-phenylcarbazol-4-yl)-N-(6-phenyldibenzofuran-4-yl)carbazol-2-amine
CID 170286483
9-phenyl-N-[2-(4-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172501219
9-phenyl-N-[7-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-N-(2-phenylphenyl)carbazol-4-amine
CID 174257736
N-(2,4-diphenylphenyl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine
CID 170297284
N,N,9-tris(4-phenylphenyl)carbazol-2-amine;N,N,9-tris(4-phenylphenyl)carbazol-3-amine;N,N,9-tris(4-phenylphenyl)carbazol-4-amine
CID 159285167
N-(2-carbazol-9-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine
CID 169009864
N-(6,9-diphenylcarbazol-3-yl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine
CID 169009785
N,9-bis(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 138668241
5,9-diphenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)carbazol-2-amine
CID 169010333
5,9-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine
CID 169009961

Frequently Asked Questions

What is the IUPAC name of N-(2,4-diphenylphenyl)-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine?
The IUPAC name of N-(2,4-diphenylphenyl)-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine (CID 170286478) is N-(2,4-diphenylphenyl)-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine.
What is the SMILES notation for N-(2,4-diphenylphenyl)-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine?
The canonical SMILES for N-(2,4-diphenylphenyl)-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine is c1ccc(-c2ccc(N(c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3cccc4c3c3ccccc3n4-c3ccccc3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of N-(2,4-diphenylphenyl)-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine?
The InChIKey is KTMLVOZSNFWKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N3/c1-5-18-38(19-6-1)40-32-35-50(47(36-40)39-20-7-2-8-21-39)57(43-33-34-45-44-26-13-15-28-48(44)56(53(45)37-43)42-24-11-4-12-25-42)52-31-17-30-51-54(52)46-27-14-16-29-49(46)55(51)41-22-9-3-10-23-41/h1-37H.
What are the key properties of N-(2,4-diphenylphenyl)-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine?
N-(2,4-diphenylphenyl)-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine has a molecular weight of 727.91 g/mol, XLogP of 14.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diphenylphenyl)-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine is sourced from PubChem (CID 170286478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).