N,4-diphenyl-N-[4-[1-(2-phenylphenyl)benzo[c]carbazol-7-yl]phenyl]aniline

C52H36N2 — CID 177100985

IUPACN,4-diphenyl-N-[4-[1-(2-phenylphenyl)benzo[c]carbazol-7-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5c6c(-c7ccccc7-c7ccccc7)cccc6ccc54)cc3)cc2)cc1
InChIInChI=1S/C52H36N2/c1-4-15-37(16-5-1)38-27-30-42(31-28-38)53(41-20-8-3-9-21-41)43-32-34-44(35-33-43)54-49-26-13-12-24-48(49)52-50(54)36-29-40-19-14-25-47(51(40)52)46-23-11-10-22-45(46)39-17-6-2-7-18-39/h1-36H
InChIKeyWDZQRUPMUMAWBE-UHFFFAOYSA-N
MW688.87 g/mol
LogP14.41
Rot. Bonds7

About N,4-diphenyl-N-[4-[1-(2-phenylphenyl)benzo[c]carbazol-7-yl]phenyl]aniline

N,4-diphenyl-N-[4-[1-(2-phenylphenyl)benzo[c]carbazol-7-yl]phenyl]aniline (PubChem CID 177100985) has the molecular formula C52H36N2 and a molecular weight of 688.87 g/mol. Its IUPAC name is N,4-diphenyl-N-[4-[1-(2-phenylphenyl)benzo[c]carbazol-7-yl]phenyl]aniline.

Molecular Properties

Compound NameN,4-diphenyl-N-[4-[1-(2-phenylphenyl)benzo[c]carbazol-7-yl]phenyl]aniline
PubChem CID177100985
Molecular FormulaC52H36N2
Molecular Weight688.87 g/mol
Exact Mass688.29
IUPAC NameN,4-diphenyl-N-[4-[1-(2-phenylphenyl)benzo[c]carbazol-7-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5c6c(-c7ccccc7-c7ccccc7)cccc6ccc54)cc3)cc2)cc1
InChIInChI=1S/C52H36N2/c1-4-15-37(16-5-1)38-27-30-42(31-28-38)53(41-20-8-3-9-21-41)43-32-34-44(35-33-43)54-49-26-13-12-24-48(49)52-50(54)36-29-40-19-14-25-47(51(40)52)46-23-11-10-22-45(46)39-17-6-2-7-18-39/h1-36H
InChIKeyWDZQRUPMUMAWBE-UHFFFAOYSA-N
XLogP14.41
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.87
LogP ≤ 514.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-N-[4-[4-[1-(2-phenylphenyl)benzo[c]carbazol-7-yl]phenyl]phenyl]naphthalen-1-amine
CID 177101002
N,4-diphenyl-N-[4-(11-phenylbenzo[c]carbazol-7-yl)phenyl]aniline
CID 177101209
N-[4-(1-naphthalen-2-ylbenzo[c]carbazol-7-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 177101101
N-(4-naphthalen-1-ylphenyl)-3-(1-phenylbenzo[c]carbazol-7-yl)-N-(4-phenylphenyl)aniline
CID 177100994
4-(4-carbazol-9-ylphenyl)-N,N-bis[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170379939
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
4-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-N,N-diphenylaniline
CID 169016142
4-phenyl-N-[4-[5-(1-phenylbenzo[c]carbazol-7-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)aniline
CID 177100999
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 146578337
23-[4-(4-carbazol-9-ylphenyl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
CID 139497902
N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[3-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170380154

Frequently Asked Questions

What is the IUPAC name of N,4-diphenyl-N-[4-[1-(2-phenylphenyl)benzo[c]carbazol-7-yl]phenyl]aniline?
The IUPAC name of N,4-diphenyl-N-[4-[1-(2-phenylphenyl)benzo[c]carbazol-7-yl]phenyl]aniline (CID 177100985) is N,4-diphenyl-N-[4-[1-(2-phenylphenyl)benzo[c]carbazol-7-yl]phenyl]aniline.
What is the SMILES notation for N,4-diphenyl-N-[4-[1-(2-phenylphenyl)benzo[c]carbazol-7-yl]phenyl]aniline?
The canonical SMILES for N,4-diphenyl-N-[4-[1-(2-phenylphenyl)benzo[c]carbazol-7-yl]phenyl]aniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5c6c(-c7ccccc7-c7ccccc7)cccc6ccc54)cc3)cc2)cc1.
What is the InChIKey of N,4-diphenyl-N-[4-[1-(2-phenylphenyl)benzo[c]carbazol-7-yl]phenyl]aniline?
The InChIKey is WDZQRUPMUMAWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2/c1-4-15-37(16-5-1)38-27-30-42(31-28-38)53(41-20-8-3-9-21-41)43-32-34-44(35-33-43)54-49-26-13-12-24-48(49)52-50(54)36-29-40-19-14-25-47(51(40)52)46-23-11-10-22-45(46)39-17-6-2-7-18-39/h1-36H.
What are the key properties of N,4-diphenyl-N-[4-[1-(2-phenylphenyl)benzo[c]carbazol-7-yl]phenyl]aniline?
N,4-diphenyl-N-[4-[1-(2-phenylphenyl)benzo[c]carbazol-7-yl]phenyl]aniline has a molecular weight of 688.87 g/mol, XLogP of 14.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diphenyl-N-[4-[1-(2-phenylphenyl)benzo[c]carbazol-7-yl]phenyl]aniline is sourced from PubChem (CID 177100985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).