9-[4-[2,5-dimethyl-4-[4-[4-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]phenyl]-N,N-diphenylcarbazol-4-amine

C68H50N4 — CID 172537492

IUPAC9-[4-[2,5-dimethyl-4-[4-[4-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]phenyl]-N,N-diphenylcarbazol-4-amine
SMILESCc1cc(-c2ccc(-n3c4ccccc4c4c(N(c5ccccc5)c5ccccc5)cccc43)cc2)c(C)cc1-c1ccc(-n2c3ccccc3c3c(N(c4ccccc4)c4ccccc4)cccc32)cc1
InChIInChI=1S/C68H50N4/c1-47-45-60(50-39-43-56(44-40-50)72-62-32-18-16-30-58(62)68-64(34-20-36-66(68)72)70(53-25-11-5-12-26-53)54-27-13-6-14-28-54)48(2)46-59(47)49-37-41-55(42-38-49)71-61-31-17-15-29-57(61)67-63(33-19-35-65(67)71)69(51-21-7-3-8-22-51)52-23-9-4-10-24-52/h3-46H,1-2H3
InChIKeyWPTYUFVXAGQREW-UHFFFAOYSA-N
MW923.18 g/mol
LogP18.77
Rot. Bonds10

About 9-[4-[2,5-dimethyl-4-[4-[4-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]phenyl]-N,N-diphenylcarbazol-4-amine

9-[4-[2,5-dimethyl-4-[4-[4-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]phenyl]-N,N-diphenylcarbazol-4-amine (PubChem CID 172537492) has the molecular formula C68H50N4 and a molecular weight of 923.18 g/mol. Its IUPAC name is 9-[4-[2,5-dimethyl-4-[4-[4-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]phenyl]-N,N-diphenylcarbazol-4-amine.

Molecular Properties

Compound Name9-[4-[2,5-dimethyl-4-[4-[4-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]phenyl]-N,N-diphenylcarbazol-4-amine
PubChem CID172537492
Molecular FormulaC68H50N4
Molecular Weight923.18 g/mol
Exact Mass922.40
IUPAC Name9-[4-[2,5-dimethyl-4-[4-[4-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]phenyl]-N,N-diphenylcarbazol-4-amine
SMILESCc1cc(-c2ccc(-n3c4ccccc4c4c(N(c5ccccc5)c5ccccc5)cccc43)cc2)c(C)cc1-c1ccc(-n2c3ccccc3c3c(N(c4ccccc4)c4ccccc4)cccc32)cc1
InChIInChI=1S/C68H50N4/c1-47-45-60(50-39-43-56(44-40-50)72-62-32-18-16-30-58(62)68-64(34-20-36-66(68)72)70(53-25-11-5-12-26-53)54-27-13-6-14-28-54)48(2)46-59(47)49-37-41-55(42-38-49)71-61-31-17-15-29-57(61)67-63(33-19-35-65(67)71)69(51-21-7-3-8-22-51)52-23-9-4-10-24-52/h3-46H,1-2H3
InChIKeyWPTYUFVXAGQREW-UHFFFAOYSA-N
XLogP18.77
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500923.18
LogP ≤ 518.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(4-methylphenyl)-N,N-bis(4-phenylphenyl)carbazol-4-amine
CID 90377540
N,N,9-triphenyl-6-(9-phenylcarbazol-3-yl)carbazol-4-amine
CID 134369862
2-N,4-N,4-N-triphenyl-2-N-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazole-2,4-diamine
CID 154965850
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
2-(4-carbazol-9-ylphenyl)-1-N-(2-methylphenyl)-1-N,4-N,4-N-triphenylbenzene-1,4-diamine
CID 145060262
N-(4-chrysen-6-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
CID 170138451
9-(4-methoxyphenyl)-N,N-bis(4-phenylphenyl)carbazol-4-amine
CID 90377538
9-phenyl-N-(4-phenylphenyl)-N-[4-[3-phenyl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazol-4-amine
CID 176878123
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]carbazol-9-yl]phenyl]aniline
CID 121403668
N,N-diphenyl-4-[4-[4-[4-[4-(N-phenylanilino)phenyl]carbazol-9-yl]phenyl]phenyl]aniline
CID 121403671
N-(4-chrysen-6-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-4-amine
CID 170138400
N,5,9-triphenyl-N-(9-phenylcarbazol-3-yl)carbazol-4-amine
CID 169009800

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2,5-dimethyl-4-[4-[4-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]phenyl]-N,N-diphenylcarbazol-4-amine?
The IUPAC name of 9-[4-[2,5-dimethyl-4-[4-[4-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]phenyl]-N,N-diphenylcarbazol-4-amine (CID 172537492) is 9-[4-[2,5-dimethyl-4-[4-[4-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]phenyl]-N,N-diphenylcarbazol-4-amine.
What is the SMILES notation for 9-[4-[2,5-dimethyl-4-[4-[4-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]phenyl]-N,N-diphenylcarbazol-4-amine?
The canonical SMILES for 9-[4-[2,5-dimethyl-4-[4-[4-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]phenyl]-N,N-diphenylcarbazol-4-amine is Cc1cc(-c2ccc(-n3c4ccccc4c4c(N(c5ccccc5)c5ccccc5)cccc43)cc2)c(C)cc1-c1ccc(-n2c3ccccc3c3c(N(c4ccccc4)c4ccccc4)cccc32)cc1.
What is the InChIKey of 9-[4-[2,5-dimethyl-4-[4-[4-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]phenyl]-N,N-diphenylcarbazol-4-amine?
The InChIKey is WPTYUFVXAGQREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H50N4/c1-47-45-60(50-39-43-56(44-40-50)72-62-32-18-16-30-58(62)68-64(34-20-36-66(68)72)70(53-25-11-5-12-26-53)54-27-13-6-14-28-54)48(2)46-59(47)49-37-41-55(42-38-49)71-61-31-17-15-29-57(61)67-63(33-19-35-65(67)71)69(51-21-7-3-8-22-51)52-23-9-4-10-24-52/h3-46H,1-2H3.
What are the key properties of 9-[4-[2,5-dimethyl-4-[4-[4-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]phenyl]-N,N-diphenylcarbazol-4-amine?
9-[4-[2,5-dimethyl-4-[4-[4-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]phenyl]-N,N-diphenylcarbazol-4-amine has a molecular weight of 923.18 g/mol, XLogP of 18.77, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2,5-dimethyl-4-[4-[4-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]phenyl]-N,N-diphenylcarbazol-4-amine is sourced from PubChem (CID 172537492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).