4-naphthalen-2-yl-N-phenyl-N-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]aniline

C52H35N3 — CID 163777791

IUPAC4-naphthalen-2-yl-N-phenyl-N-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]aniline
SMILESc1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)cc2)cc1
InChIInChI=1S/C52H35N3/c1-3-15-40(16-4-1)53(42-27-25-37(26-28-42)39-24-23-36-13-7-8-14-38(36)35-39)43-29-31-44(32-30-43)54-49-22-12-10-20-47(49)51-50(54)34-33-46-45-19-9-11-21-48(45)55(52(46)51)41-17-5-2-6-18-41/h1-35H
InChIKeyMLZGWUBKOWHPQJ-UHFFFAOYSA-N
MW701.87 g/mol
LogP14.17
Rot. Bonds6

About 4-naphthalen-2-yl-N-phenyl-N-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]aniline

4-naphthalen-2-yl-N-phenyl-N-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]aniline (PubChem CID 163777791) has the molecular formula C52H35N3 and a molecular weight of 701.87 g/mol. Its IUPAC name is 4-naphthalen-2-yl-N-phenyl-N-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]aniline.

Molecular Properties

Compound Name4-naphthalen-2-yl-N-phenyl-N-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]aniline
PubChem CID163777791
Molecular FormulaC52H35N3
Molecular Weight701.87 g/mol
Exact Mass701.28
IUPAC Name4-naphthalen-2-yl-N-phenyl-N-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]aniline
SMILESc1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)cc2)cc1
InChIInChI=1S/C52H35N3/c1-3-15-40(16-4-1)53(42-27-25-37(26-28-42)39-24-23-36-13-7-8-14-38(36)35-39)43-29-31-44(32-30-43)54-49-22-12-10-20-47(49)51-50(54)34-33-46-45-19-9-11-21-48(45)55(52(46)51)41-17-5-2-6-18-41/h1-35H
InChIKeyMLZGWUBKOWHPQJ-UHFFFAOYSA-N
XLogP14.17
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.87
LogP ≤ 514.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[3-(5-naphthalen-2-ylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 145273364
N-[4-(5-naphthalen-2-ylindolo[3,2-c]carbazol-12-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 145273395
benzene;N-naphthalen-2-yl-N-[4-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]phenyl]naphthalen-2-amine
CID 145273265
N-phenyl-N-(4-phenylphenyl)-6-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]naphthalen-2-amine
CID 145273366
3-phenyl-N-[4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 145273285
N-phenyl-3-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 142474038
N-(4-carbazol-9-ylphenyl)-4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]-N-phenylaniline
CID 59501688
N,4-diphenyl-N-[4-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]phenyl]aniline
CID 145273269
N-phenyl-N-[4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]triphenylen-2-amine
CID 142474030
9-naphthalen-2-yl-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-naphthalen-2-ylphenyl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-(4-naphthalen-2-ylphenyl)-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 159589030
N-phenyl-N-(3-phenylphenyl)-7-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]naphthalen-2-amine
CID 145273386
7-(5-naphthalen-2-ylindolo[3,2-c]carbazol-12-yl)-N-phenyl-N-(3-phenylphenyl)naphthalen-2-amine
CID 145273382

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-N-phenyl-N-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]aniline?
The IUPAC name of 4-naphthalen-2-yl-N-phenyl-N-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]aniline (CID 163777791) is 4-naphthalen-2-yl-N-phenyl-N-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]aniline.
What is the SMILES notation for 4-naphthalen-2-yl-N-phenyl-N-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]aniline?
The canonical SMILES for 4-naphthalen-2-yl-N-phenyl-N-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]aniline is c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)cc2)cc1.
What is the InChIKey of 4-naphthalen-2-yl-N-phenyl-N-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]aniline?
The InChIKey is MLZGWUBKOWHPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N3/c1-3-15-40(16-4-1)53(42-27-25-37(26-28-42)39-24-23-36-13-7-8-14-38(36)35-39)43-29-31-44(32-30-43)54-49-22-12-10-20-47(49)51-50(54)34-33-46-45-19-9-11-21-48(45)55(52(46)51)41-17-5-2-6-18-41/h1-35H.
What are the key properties of 4-naphthalen-2-yl-N-phenyl-N-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]aniline?
4-naphthalen-2-yl-N-phenyl-N-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]aniline has a molecular weight of 701.87 g/mol, XLogP of 14.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-N-phenyl-N-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]aniline is sourced from PubChem (CID 163777791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).