N,4-diphenyl-N-[4-[1-(5-phenylpyrido[4,3-b]indol-3-yl)carbazol-9-yl]phenyl]aniline

C53H36N4 — CID 129221558

IUPACN,4-diphenyl-N-[4-[1-(5-phenylpyrido[4,3-b]indol-3-yl)carbazol-9-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5cccc(-c6cc7c(cn6)c6ccccc6n7-c6ccccc6)c54)cc3)cc2)cc1
InChIInChI=1S/C53H36N4/c1-4-15-37(16-5-1)38-27-29-41(30-28-38)55(39-17-6-2-7-18-39)42-31-33-43(34-32-42)57-51-26-13-10-21-44(51)46-23-14-24-47(53(46)57)49-35-52-48(36-54-49)45-22-11-12-25-50(45)56(52)40-19-8-3-9-20-40/h1-36H
InChIKeyJSKGIXFKNWRKJB-UHFFFAOYSA-N
MW728.90 g/mol
LogP14.08
Rot. Bonds7

About N,4-diphenyl-N-[4-[1-(5-phenylpyrido[4,3-b]indol-3-yl)carbazol-9-yl]phenyl]aniline

N,4-diphenyl-N-[4-[1-(5-phenylpyrido[4,3-b]indol-3-yl)carbazol-9-yl]phenyl]aniline (PubChem CID 129221558) has the molecular formula C53H36N4 and a molecular weight of 728.90 g/mol. Its IUPAC name is N,4-diphenyl-N-[4-[1-(5-phenylpyrido[4,3-b]indol-3-yl)carbazol-9-yl]phenyl]aniline.

Molecular Properties

Compound NameN,4-diphenyl-N-[4-[1-(5-phenylpyrido[4,3-b]indol-3-yl)carbazol-9-yl]phenyl]aniline
PubChem CID129221558
Molecular FormulaC53H36N4
Molecular Weight728.90 g/mol
Exact Mass728.29
IUPAC NameN,4-diphenyl-N-[4-[1-(5-phenylpyrido[4,3-b]indol-3-yl)carbazol-9-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5cccc(-c6cc7c(cn6)c6ccccc6n7-c6ccccc6)c54)cc3)cc2)cc1
InChIInChI=1S/C53H36N4/c1-4-15-37(16-5-1)38-27-29-41(30-28-38)55(39-17-6-2-7-18-39)42-31-33-43(34-32-42)57-51-26-13-10-21-44(51)46-23-14-24-47(53(46)57)49-35-52-48(36-54-49)45-22-11-12-25-50(45)56(52)40-19-8-3-9-20-40/h1-36H
InChIKeyJSKGIXFKNWRKJB-UHFFFAOYSA-N
XLogP14.08
TPSA25.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.90
LogP ≤ 514.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-1-yl)phenyl]-N,9-diphenylcarbazol-3-amine
CID 148828998
N-[4-[4-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 156545419
3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 164790714
N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]aniline
CID 71038437
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 71038382
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 67472360
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 138467443
4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 160833805
N,4-bis(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 90296019
4-(3-carbazol-9-ylphenyl)-N-[4-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118901505
N-phenyl-3-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 142474038
3-phenyl-N-[4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 145273285

Frequently Asked Questions

What is the IUPAC name of N,4-diphenyl-N-[4-[1-(5-phenylpyrido[4,3-b]indol-3-yl)carbazol-9-yl]phenyl]aniline?
The IUPAC name of N,4-diphenyl-N-[4-[1-(5-phenylpyrido[4,3-b]indol-3-yl)carbazol-9-yl]phenyl]aniline (CID 129221558) is N,4-diphenyl-N-[4-[1-(5-phenylpyrido[4,3-b]indol-3-yl)carbazol-9-yl]phenyl]aniline.
What is the SMILES notation for N,4-diphenyl-N-[4-[1-(5-phenylpyrido[4,3-b]indol-3-yl)carbazol-9-yl]phenyl]aniline?
The canonical SMILES for N,4-diphenyl-N-[4-[1-(5-phenylpyrido[4,3-b]indol-3-yl)carbazol-9-yl]phenyl]aniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5cccc(-c6cc7c(cn6)c6ccccc6n7-c6ccccc6)c54)cc3)cc2)cc1.
What is the InChIKey of N,4-diphenyl-N-[4-[1-(5-phenylpyrido[4,3-b]indol-3-yl)carbazol-9-yl]phenyl]aniline?
The InChIKey is JSKGIXFKNWRKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N4/c1-4-15-37(16-5-1)38-27-29-41(30-28-38)55(39-17-6-2-7-18-39)42-31-33-43(34-32-42)57-51-26-13-10-21-44(51)46-23-14-24-47(53(46)57)49-35-52-48(36-54-49)45-22-11-12-25-50(45)56(52)40-19-8-3-9-20-40/h1-36H.
What are the key properties of N,4-diphenyl-N-[4-[1-(5-phenylpyrido[4,3-b]indol-3-yl)carbazol-9-yl]phenyl]aniline?
N,4-diphenyl-N-[4-[1-(5-phenylpyrido[4,3-b]indol-3-yl)carbazol-9-yl]phenyl]aniline has a molecular weight of 728.90 g/mol, XLogP of 14.08, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diphenyl-N-[4-[1-(5-phenylpyrido[4,3-b]indol-3-yl)carbazol-9-yl]phenyl]aniline is sourced from PubChem (CID 129221558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).