4-phenyl-N-[4-(12-phenylnaphtho[1,2-b]indolizin-3-yl)phenyl]-N-(4-phenylphenyl)aniline

C52H36N2 — CID 146508640

IUPAC4-phenyl-N-[4-(12-phenylnaphtho[1,2-b]indolizin-3-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(ccc6c5c(-c5ccccc5)c5ccccn56)c4)cc3)cc2)cc1
InChIInChI=1S/C52H36N2/c1-4-12-37(13-5-1)39-19-27-45(28-20-39)54(46-29-21-40(22-30-46)38-14-6-2-7-15-38)47-31-23-41(24-32-47)43-25-33-48-44(36-43)26-34-50-52(48)51(42-16-8-3-9-17-42)49-18-10-11-35-53(49)50/h1-36H
InChIKeyASXKXOHLOYTHBI-UHFFFAOYSA-N
MW688.87 g/mol
LogP14.38
Rot. Bonds7

About 4-phenyl-N-[4-(12-phenylnaphtho[1,2-b]indolizin-3-yl)phenyl]-N-(4-phenylphenyl)aniline

4-phenyl-N-[4-(12-phenylnaphtho[1,2-b]indolizin-3-yl)phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 146508640) has the molecular formula C52H36N2 and a molecular weight of 688.87 g/mol. Its IUPAC name is 4-phenyl-N-[4-(12-phenylnaphtho[1,2-b]indolizin-3-yl)phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name4-phenyl-N-[4-(12-phenylnaphtho[1,2-b]indolizin-3-yl)phenyl]-N-(4-phenylphenyl)aniline
PubChem CID146508640
Molecular FormulaC52H36N2
Molecular Weight688.87 g/mol
Exact Mass688.29
IUPAC Name4-phenyl-N-[4-(12-phenylnaphtho[1,2-b]indolizin-3-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(ccc6c5c(-c5ccccc5)c5ccccn56)c4)cc3)cc2)cc1
InChIInChI=1S/C52H36N2/c1-4-12-37(13-5-1)39-19-27-45(28-20-39)54(46-29-21-40(22-30-46)38-14-6-2-7-15-38)47-31-23-41(24-32-47)43-25-33-48-44(36-43)26-34-50-52(48)51(42-16-8-3-9-17-42)49-18-10-11-35-53(49)50/h1-36H
InChIKeyASXKXOHLOYTHBI-UHFFFAOYSA-N
XLogP14.38
TPSA7.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.87
LogP ≤ 514.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(12-phenylnaphtho[1,2-b]indolizin-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]phenanthren-2-amine
CID 146508802
4-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 146508932
N-[3-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 146508656
N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 146508892
7,14-diphenyl-3-N,3-N,10-N,10-N-tetrakis(4-phenylphenyl)naphtho[1,2-b]phenanthrene-3,10-diamine
CID 118912615
N-phenanthren-2-yl-N-[4-[3-(12-phenylnaphtho[1,2-b]indolizin-9-yl)phenyl]phenyl]dibenzothiophen-2-amine
CID 146508817
N,N-diphenyl-4-[4-(7-phenylindolo[1,2-a]quinolin-3-yl)phenyl]aniline
CID 146508530
N,N-bis[4-(4-phenanthren-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 135299426
N,N-bis(4-phenanthren-2-ylphenyl)-4-phenylaniline
CID 135299389
N,N-diphenyl-4-[4-(12-phenylindolo[2,1-a]isoquinolin-2-yl)phenyl]aniline
CID 146508711
N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(12-phenylnaphtho[1,2-b]indolizin-4-yl)phenyl]phenyl]dibenzofuran-1-amine
CID 146509212
9-[4-[6-[10-naphthalen-2-yl-2,6-bis(N-phenylanilino)anthracen-9-yl]naphthalen-2-yl]phenyl]-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6-diamine
CID 134490814

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[4-(12-phenylnaphtho[1,2-b]indolizin-3-yl)phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 4-phenyl-N-[4-(12-phenylnaphtho[1,2-b]indolizin-3-yl)phenyl]-N-(4-phenylphenyl)aniline (CID 146508640) is 4-phenyl-N-[4-(12-phenylnaphtho[1,2-b]indolizin-3-yl)phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 4-phenyl-N-[4-(12-phenylnaphtho[1,2-b]indolizin-3-yl)phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 4-phenyl-N-[4-(12-phenylnaphtho[1,2-b]indolizin-3-yl)phenyl]-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(ccc6c5c(-c5ccccc5)c5ccccn56)c4)cc3)cc2)cc1.
What is the InChIKey of 4-phenyl-N-[4-(12-phenylnaphtho[1,2-b]indolizin-3-yl)phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is ASXKXOHLOYTHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2/c1-4-12-37(13-5-1)39-19-27-45(28-20-39)54(46-29-21-40(22-30-46)38-14-6-2-7-15-38)47-31-23-41(24-32-47)43-25-33-48-44(36-43)26-34-50-52(48)51(42-16-8-3-9-17-42)49-18-10-11-35-53(49)50/h1-36H.
What are the key properties of 4-phenyl-N-[4-(12-phenylnaphtho[1,2-b]indolizin-3-yl)phenyl]-N-(4-phenylphenyl)aniline?
4-phenyl-N-[4-(12-phenylnaphtho[1,2-b]indolizin-3-yl)phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 688.87 g/mol, XLogP of 14.38, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[4-(12-phenylnaphtho[1,2-b]indolizin-3-yl)phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 146508640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).