N,N-diphenyl-4-[4-(7-phenylindolo[1,2-a]quinolin-3-yl)phenyl]aniline

C46H32N2 — CID 146508530

IUPACN,N-diphenyl-4-[4-(7-phenylindolo[1,2-a]quinolin-3-yl)phenyl]aniline
SMILESc1ccc(-c2c3ccccc3n3c2ccc2cc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)ccc23)cc1
InChIInChI=1S/C46H32N2/c1-4-12-36(13-5-1)46-42-18-10-11-19-44(42)48-43-30-26-37(32-38(43)27-31-45(46)48)35-22-20-33(21-23-35)34-24-28-41(29-25-34)47(39-14-6-2-7-15-39)40-16-8-3-9-17-40/h1-32H
InChIKeyUSINWVAILXPJGX-UHFFFAOYSA-N
MW612.78 g/mol
LogP12.72
Rot. Bonds6

About N,N-diphenyl-4-[4-(7-phenylindolo[1,2-a]quinolin-3-yl)phenyl]aniline

N,N-diphenyl-4-[4-(7-phenylindolo[1,2-a]quinolin-3-yl)phenyl]aniline (PubChem CID 146508530) has the molecular formula C46H32N2 and a molecular weight of 612.78 g/mol. Its IUPAC name is N,N-diphenyl-4-[4-(7-phenylindolo[1,2-a]quinolin-3-yl)phenyl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[4-(7-phenylindolo[1,2-a]quinolin-3-yl)phenyl]aniline
PubChem CID146508530
Molecular FormulaC46H32N2
Molecular Weight612.78 g/mol
Exact Mass612.26
IUPAC NameN,N-diphenyl-4-[4-(7-phenylindolo[1,2-a]quinolin-3-yl)phenyl]aniline
SMILESc1ccc(-c2c3ccccc3n3c2ccc2cc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)ccc23)cc1
InChIInChI=1S/C46H32N2/c1-4-12-36(13-5-1)46-42-18-10-11-19-44(42)48-43-30-26-37(32-38(43)27-31-45(46)48)35-22-20-33(21-23-35)34-24-28-41(29-25-34)47(39-14-6-2-7-15-39)40-16-8-3-9-17-40/h1-32H
InChIKeyUSINWVAILXPJGX-UHFFFAOYSA-N
XLogP12.72
TPSA7.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.78
LogP ≤ 512.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-N-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 146508951
N-(4-carbazol-9-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 146580367
N-(4-carbazol-9-ylphenyl)-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 165047575
N,4-diphenyl-N-[4-[7-(9-phenylcarbazol-3-yl)pyren-2-yl]phenyl]aniline
CID 90164565
4-phenyl-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 153475880
N-(4-naphthalen-2-ylphenyl)-4-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 59288195
4-(9,10-dinaphthalen-2-ylanthracen-2-yl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline;9,10-dinaphthalen-2-yl-2,6-bis(10-naphthalen-2-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-2-yl-2,6-bis(10-phenylanthracen-9-yl)anthracene
CID 159179813
N-[4-(6-carbazol-9-ylnaphthalen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 142727938
N,N-diphenyl-4-[9-(6-phenylanthracen-2-yl)benzo[b]triphenylen-14-yl]aniline
CID 58855319
N,9-diphenyl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]carbazol-3-amine
CID 174257818
N,N-diphenyl-4-[4-(12-phenylindolo[2,1-a]isoquinolin-2-yl)phenyl]aniline
CID 146508711
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 146579381

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[4-(7-phenylindolo[1,2-a]quinolin-3-yl)phenyl]aniline?
The IUPAC name of N,N-diphenyl-4-[4-(7-phenylindolo[1,2-a]quinolin-3-yl)phenyl]aniline (CID 146508530) is N,N-diphenyl-4-[4-(7-phenylindolo[1,2-a]quinolin-3-yl)phenyl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[4-(7-phenylindolo[1,2-a]quinolin-3-yl)phenyl]aniline?
The canonical SMILES for N,N-diphenyl-4-[4-(7-phenylindolo[1,2-a]quinolin-3-yl)phenyl]aniline is c1ccc(-c2c3ccccc3n3c2ccc2cc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)ccc23)cc1.
What is the InChIKey of N,N-diphenyl-4-[4-(7-phenylindolo[1,2-a]quinolin-3-yl)phenyl]aniline?
The InChIKey is USINWVAILXPJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2/c1-4-12-36(13-5-1)46-42-18-10-11-19-44(42)48-43-30-26-37(32-38(43)27-31-45(46)48)35-22-20-33(21-23-35)34-24-28-41(29-25-34)47(39-14-6-2-7-15-39)40-16-8-3-9-17-40/h1-32H.
What are the key properties of N,N-diphenyl-4-[4-(7-phenylindolo[1,2-a]quinolin-3-yl)phenyl]aniline?
N,N-diphenyl-4-[4-(7-phenylindolo[1,2-a]quinolin-3-yl)phenyl]aniline has a molecular weight of 612.78 g/mol, XLogP of 12.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[4-(7-phenylindolo[1,2-a]quinolin-3-yl)phenyl]aniline is sourced from PubChem (CID 146508530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).