N,4-diphenyl-N-[4-(11-phenylbenzo[c]carbazol-7-yl)phenyl]aniline

C46H32N2 — CID 177101209

IUPACN,4-diphenyl-N-[4-(11-phenylbenzo[c]carbazol-7-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-n4c5cccc(-c6ccccc6)c5c5c6ccccc6ccc54)cc3)cc2)cc1
InChIInChI=1S/C46H32N2/c1-4-13-33(14-5-1)34-23-26-38(27-24-34)47(37-18-8-3-9-19-37)39-28-30-40(31-29-39)48-43-22-12-21-42(35-15-6-2-7-16-35)45(43)46-41-20-11-10-17-36(41)25-32-44(46)48/h1-32H
InChIKeyUTSHIWRHLVSTSH-UHFFFAOYSA-N
MW612.78 g/mol
LogP12.74
Rot. Bonds6

About N,4-diphenyl-N-[4-(11-phenylbenzo[c]carbazol-7-yl)phenyl]aniline

N,4-diphenyl-N-[4-(11-phenylbenzo[c]carbazol-7-yl)phenyl]aniline (PubChem CID 177101209) has the molecular formula C46H32N2 and a molecular weight of 612.78 g/mol. Its IUPAC name is N,4-diphenyl-N-[4-(11-phenylbenzo[c]carbazol-7-yl)phenyl]aniline.

Molecular Properties

Compound NameN,4-diphenyl-N-[4-(11-phenylbenzo[c]carbazol-7-yl)phenyl]aniline
PubChem CID177101209
Molecular FormulaC46H32N2
Molecular Weight612.78 g/mol
Exact Mass612.26
IUPAC NameN,4-diphenyl-N-[4-(11-phenylbenzo[c]carbazol-7-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-n4c5cccc(-c6ccccc6)c5c5c6ccccc6ccc54)cc3)cc2)cc1
InChIInChI=1S/C46H32N2/c1-4-13-33(14-5-1)34-23-26-38(27-24-34)47(37-18-8-3-9-19-37)39-28-30-40(31-29-39)48-43-22-12-21-42(35-15-6-2-7-16-35)45(43)46-41-20-11-10-17-36(41)25-32-44(46)48/h1-32H
InChIKeyUTSHIWRHLVSTSH-UHFFFAOYSA-N
XLogP12.74
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.78
LogP ≤ 512.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-3-(7-phenylbenzo[c]carbazol-11-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167196262
N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(7-phenylbenzo[c]carbazol-11-yl)aniline
CID 166660520
N-methyl-N-phenyl-4-[7-(4-phenylphenyl)benzo[c]carbazol-11-yl]aniline
CID 126631250
3-(7-phenylbenzo[c]carbazol-11-yl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 166660559
N-[4-(3,5-diphenylphenyl)phenyl]-3-(7-phenylbenzo[c]carbazol-11-yl)-N-(4-phenylphenyl)aniline
CID 166660549
N-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(7-phenylbenzo[c]carbazol-11-yl)aniline
CID 167195951
N,N-bis(4-naphthalen-2-ylphenyl)-3-(7-phenylbenzo[c]carbazol-11-yl)aniline
CID 166659643
4-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]-N,N-diphenylaniline;ethane
CID 144741395
N,4-diphenyl-N-[4-[1-(2-phenylphenyl)benzo[c]carbazol-7-yl]phenyl]aniline
CID 177100985
N-(4-phenanthren-2-ylphenyl)-N-phenyl-3-(7-phenylbenzo[c]carbazol-11-yl)aniline
CID 167196251
N-[4-(7-methylbenzo[c]carbazol-11-yl)phenyl]-N,4-diphenylaniline
CID 126631257
N-[4-[2-(11-naphthalen-1-ylbenzo[c]carbazol-7-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 177100968

Frequently Asked Questions

What is the IUPAC name of N,4-diphenyl-N-[4-(11-phenylbenzo[c]carbazol-7-yl)phenyl]aniline?
The IUPAC name of N,4-diphenyl-N-[4-(11-phenylbenzo[c]carbazol-7-yl)phenyl]aniline (CID 177101209) is N,4-diphenyl-N-[4-(11-phenylbenzo[c]carbazol-7-yl)phenyl]aniline.
What is the SMILES notation for N,4-diphenyl-N-[4-(11-phenylbenzo[c]carbazol-7-yl)phenyl]aniline?
The canonical SMILES for N,4-diphenyl-N-[4-(11-phenylbenzo[c]carbazol-7-yl)phenyl]aniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-n4c5cccc(-c6ccccc6)c5c5c6ccccc6ccc54)cc3)cc2)cc1.
What is the InChIKey of N,4-diphenyl-N-[4-(11-phenylbenzo[c]carbazol-7-yl)phenyl]aniline?
The InChIKey is UTSHIWRHLVSTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2/c1-4-13-33(14-5-1)34-23-26-38(27-24-34)47(37-18-8-3-9-19-37)39-28-30-40(31-29-39)48-43-22-12-21-42(35-15-6-2-7-16-35)45(43)46-41-20-11-10-17-36(41)25-32-44(46)48/h1-32H.
What are the key properties of N,4-diphenyl-N-[4-(11-phenylbenzo[c]carbazol-7-yl)phenyl]aniline?
N,4-diphenyl-N-[4-(11-phenylbenzo[c]carbazol-7-yl)phenyl]aniline has a molecular weight of 612.78 g/mol, XLogP of 12.74, 6 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-(11-phenylbenzo[c]carbazol-7-yl)phenyl]aniline is sourced from PubChem (CID 177101209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).