5,9-diphenyl-N-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)carbazol-3-amine

C54H37N3 — CID 169010368

IUPAC5,9-diphenyl-N-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)carbazol-3-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccc3c(c2)c2c(-c4ccccc4)cccc2n3-c2ccccc2)cc1
InChIInChI=1S/C54H37N3/c1-5-18-38(19-6-1)44-26-13-15-29-49(44)55(42-32-34-51-47(36-42)46-27-14-16-30-50(46)56(51)40-22-9-3-10-23-40)43-33-35-52-48(37-43)54-45(39-20-7-2-8-21-39)28-17-31-53(54)57(52)41-24-11-4-12-25-41/h1-37H
InChIKeyURYITXSXLUNCSS-UHFFFAOYSA-N
MW727.91 g/mol
LogP14.68
Rot. Bonds7

About 5,9-diphenyl-N-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)carbazol-3-amine

5,9-diphenyl-N-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)carbazol-3-amine (PubChem CID 169010368) has the molecular formula C54H37N3 and a molecular weight of 727.91 g/mol. Its IUPAC name is 5,9-diphenyl-N-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)carbazol-3-amine.

Molecular Properties

Compound Name5,9-diphenyl-N-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)carbazol-3-amine
PubChem CID169010368
Molecular FormulaC54H37N3
Molecular Weight727.91 g/mol
Exact Mass727.30
IUPAC Name5,9-diphenyl-N-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)carbazol-3-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccc3c(c2)c2c(-c4ccccc4)cccc2n3-c2ccccc2)cc1
InChIInChI=1S/C54H37N3/c1-5-18-38(19-6-1)44-26-13-15-29-49(44)55(42-32-34-51-47(36-42)46-27-14-16-30-50(46)56(51)40-22-9-3-10-23-40)43-33-35-52-48(37-43)54-45(39-20-7-2-8-21-39)28-17-31-53(54)57(52)41-24-11-4-12-25-41/h1-37H
InChIKeyURYITXSXLUNCSS-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

N-(4-carbazol-9-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-3-amine
CID 169010216
5,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(2-phenylphenyl)carbazol-3-amine
CID 169009793
5,9-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-3-amine
CID 169010302
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,5,9-triphenyl-N-(9-phenylcarbazol-3-yl)carbazol-4-amine
CID 169009800
N-dibenzofuran-2-yl-5,9-diphenyl-N-(2-phenylphenyl)carbazol-3-amine
CID 169010488
N-(6,9-diphenylcarbazol-3-yl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine
CID 169009785
N-naphthalen-1-yl-5,9-diphenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 169010104
5,9-diphenyl-N-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)carbazol-3-amine
CID 169009734
N-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 167195810
9-phenyl-N-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-N-(2-phenylphenyl)carbazol-3-amine
CID 174257832

Frequently Asked Questions

What is the IUPAC name of 5,9-diphenyl-N-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)carbazol-3-amine?
The IUPAC name of 5,9-diphenyl-N-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)carbazol-3-amine (CID 169010368) is 5,9-diphenyl-N-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)carbazol-3-amine.
What is the SMILES notation for 5,9-diphenyl-N-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)carbazol-3-amine?
The canonical SMILES for 5,9-diphenyl-N-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)carbazol-3-amine is c1ccc(-c2ccccc2N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccc3c(c2)c2c(-c4ccccc4)cccc2n3-c2ccccc2)cc1.
What is the InChIKey of 5,9-diphenyl-N-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)carbazol-3-amine?
The InChIKey is URYITXSXLUNCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N3/c1-5-18-38(19-6-1)44-26-13-15-29-49(44)55(42-32-34-51-47(36-42)46-27-14-16-30-50(46)56(51)40-22-9-3-10-23-40)43-33-35-52-48(37-43)54-45(39-20-7-2-8-21-39)28-17-31-53(54)57(52)41-24-11-4-12-25-41/h1-37H.
What are the key properties of 5,9-diphenyl-N-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)carbazol-3-amine?
5,9-diphenyl-N-(9-phenylcarbazol-3-yl)-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 5,9-diphenyl-N-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)carbazol-3-amine is sourced from PubChem (CID 169010368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).