N-(4-carbazol-9-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-3-amine

C54H37N3 — CID 169010216

IUPACN-(4-carbazol-9-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-3-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc3c(c2)c2c(-c4ccccc4)cccc2n3-c2ccccc2)cc1
InChIInChI=1S/C54H37N3/c1-4-17-38(18-5-1)44-23-10-13-27-49(44)55(41-31-33-42(34-32-41)56-50-28-14-11-24-46(50)47-25-12-15-29-51(47)56)43-35-36-52-48(37-43)54-45(39-19-6-2-7-20-39)26-16-30-53(54)57(52)40-21-8-3-9-22-40/h1-37H
InChIKeyKLUQXQYCANFLRD-UHFFFAOYSA-N
MW727.91 g/mol
LogP14.68
Rot. Bonds7

About N-(4-carbazol-9-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-3-amine

N-(4-carbazol-9-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-3-amine (PubChem CID 169010216) has the molecular formula C54H37N3 and a molecular weight of 727.91 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-3-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-3-amine
PubChem CID169010216
Molecular FormulaC54H37N3
Molecular Weight727.91 g/mol
Exact Mass727.30
IUPAC NameN-(4-carbazol-9-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-3-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc3c(c2)c2c(-c4ccccc4)cccc2n3-c2ccccc2)cc1
InChIInChI=1S/C54H37N3/c1-4-17-38(18-5-1)44-23-10-13-27-49(44)55(41-31-33-42(34-32-41)56-50-28-14-11-24-46(50)47-25-12-15-29-51(47)56)43-35-36-52-48(37-43)54-45(39-19-6-2-7-20-39)26-16-30-53(54)57(52)40-21-8-3-9-22-40/h1-37H
InChIKeyKLUQXQYCANFLRD-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

5,9-diphenyl-N-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)carbazol-3-amine
CID 169010368
5,9-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-3-amine
CID 169010302
5,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(2-phenylphenyl)carbazol-3-amine
CID 169009793
1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-1-N-(2-phenylphenyl)-3-N-[3-(N-(2-phenylphenyl)anilino)phenyl]benzene-1,3-diamine
CID 177275849
9-phenyl-N-(2-phenylphenyl)-N-[4-[4-(2-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 167019949
N-naphthalen-1-yl-5,9-diphenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 169010104
N,5,9-triphenyl-N-(9-phenylcarbazol-3-yl)carbazol-4-amine
CID 169009800
N-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 167195810
N-dibenzofuran-2-yl-5,9-diphenyl-N-(2-phenylphenyl)carbazol-3-amine
CID 169010488
5,9-diphenyl-N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)carbazol-3-amine
CID 169009943
N-(3-carbazol-9-ylphenyl)-5,9-diphenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 169010115
5,9-diphenyl-N-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)carbazol-3-amine
CID 169009734

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-3-amine?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-3-amine (CID 169010216) is N-(4-carbazol-9-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-3-amine.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-3-amine?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-3-amine is c1ccc(-c2ccccc2N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc3c(c2)c2c(-c4ccccc4)cccc2n3-c2ccccc2)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-3-amine?
The InChIKey is KLUQXQYCANFLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N3/c1-4-17-38(18-5-1)44-23-10-13-27-49(44)55(41-31-33-42(34-32-41)56-50-28-14-11-24-46(50)47-25-12-15-29-51(47)56)43-35-36-52-48(37-43)54-45(39-19-6-2-7-20-39)26-16-30-53(54)57(52)40-21-8-3-9-22-40/h1-37H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-3-amine?
N-(4-carbazol-9-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-3-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-(4-carbazol-9-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-3-amine is sourced from PubChem (CID 169010216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).