4-(2-methylindol-1-yl)-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]naphthalen-1-amine

C45H32N4 — CID 143543396

IUPAC4-(2-methylindol-1-yl)-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]naphthalen-1-amine
SMILESCc1cc2ccccc2n1-c1ccc(N(c2ccccc2)c2ccc(-c3nc4ccccc4nc3-c3ccccc3)cc2)c2ccccc12
InChIInChI=1S/C45H32N4/c1-31-30-34-16-8-13-23-41(34)48(31)42-28-29-43(38-20-10-9-19-37(38)42)49(35-17-6-3-7-18-35)36-26-24-33(25-27-36)45-44(32-14-4-2-5-15-32)46-39-21-11-12-22-40(39)47-45/h2-30H,1H3
InChIKeyVBMDSBYYJRDRMW-UHFFFAOYSA-N
MW628.78 g/mol
LogP11.84
Rot. Bonds6

About 4-(2-methylindol-1-yl)-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]naphthalen-1-amine

4-(2-methylindol-1-yl)-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]naphthalen-1-amine (PubChem CID 143543396) has the molecular formula C45H32N4 and a molecular weight of 628.78 g/mol. Its IUPAC name is 4-(2-methylindol-1-yl)-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound Name4-(2-methylindol-1-yl)-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]naphthalen-1-amine
PubChem CID143543396
Molecular FormulaC45H32N4
Molecular Weight628.78 g/mol
Exact Mass628.26
IUPAC Name4-(2-methylindol-1-yl)-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]naphthalen-1-amine
SMILESCc1cc2ccccc2n1-c1ccc(N(c2ccccc2)c2ccc(-c3nc4ccccc4nc3-c3ccccc3)cc2)c2ccccc12
InChIInChI=1S/C45H32N4/c1-31-30-34-16-8-13-23-41(34)48(31)42-28-29-43(38-20-10-9-19-37(38)42)49(35-17-6-3-7-18-35)36-26-24-33(25-27-36)45-44(32-14-4-2-5-15-32)46-39-21-11-12-22-40(39)47-45/h2-30H,1H3
InChIKeyVBMDSBYYJRDRMW-UHFFFAOYSA-N
XLogP11.84
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.78
LogP ≤ 511.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,6-diphenylquinoxalin-2-yl)-N-[4-(2-methylindol-1-yl)phenyl]-N-phenylaniline
CID 143543342
9-naphthalen-1-yl-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]carbazol-3-amine
CID 59260051
N-(4-carbazol-9-ylphenyl)-N-phenyl-4-(3-phenylquinoxalin-2-yl)naphthalen-1-amine
CID 59260010
N,9-diphenyl-N-[4-[3-[4-(N-(9-phenylcarbazol-3-yl)anilino)naphthalen-1-yl]quinoxalin-2-yl]naphthalen-1-yl]carbazol-3-amine;N,9-diphenyl-N-[5-[3-[5-(N-(9-phenylcarbazol-3-yl)anilino)naphthalen-1-yl]quinoxalin-2-yl]naphthalen-1-yl]carbazol-3-amine;N,9-diphenyl-N-[4-[4-[3-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]quinoxalin-2-yl]phenyl]phenyl]carbazol-3-amine
CID 158704413
4-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline
CID 59489369
N-phenyl-4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline
CID 59489315
4-[6-[4-(4-methylphenyl)phenyl]-9-phenylcarbazol-3-yl]-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline
CID 59489347
N,N-diphenyl-4-[4-[3-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]quinoxalin-2-yl]phenyl]naphthalen-1-amine;N,N-diphenyl-5-[4-[3-[4-[5-(N-phenylanilino)naphthalen-1-yl]phenyl]quinoxalin-2-yl]phenyl]naphthalen-1-amine;N,N-diphenyl-4-[4-[4-[3-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]quinoxalin-2-yl]phenyl]phenyl]aniline
CID 159820457
4-benzo[c]carbazol-7-yl-N,N-bis(4-phenylphenyl)naphthalen-1-amine
CID 167038157
N-[4-[3,6-bis(3-phenylphenyl)carbazol-9-yl]phenyl]-4-[3-[4-(N-[4-[3,6-bis(3-phenylphenyl)carbazol-9-yl]phenyl]anilino)phenyl]quinoxalin-2-yl]-N-phenylaniline
CID 59259835
N-(4-carbazol-9-ylphenyl)-4-(3,6-diphenylquinoxalin-2-yl)-N-phenylaniline
CID 59259734
1-N,3-N,5-N-tris[4-(3,6-diphenylcarbazol-9-yl)naphthalen-1-yl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 59815961

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylindol-1-yl)-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]naphthalen-1-amine?
The IUPAC name of 4-(2-methylindol-1-yl)-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]naphthalen-1-amine (CID 143543396) is 4-(2-methylindol-1-yl)-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]naphthalen-1-amine.
What is the SMILES notation for 4-(2-methylindol-1-yl)-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]naphthalen-1-amine?
The canonical SMILES for 4-(2-methylindol-1-yl)-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]naphthalen-1-amine is Cc1cc2ccccc2n1-c1ccc(N(c2ccccc2)c2ccc(-c3nc4ccccc4nc3-c3ccccc3)cc2)c2ccccc12.
What is the InChIKey of 4-(2-methylindol-1-yl)-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]naphthalen-1-amine?
The InChIKey is VBMDSBYYJRDRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N4/c1-31-30-34-16-8-13-23-41(34)48(31)42-28-29-43(38-20-10-9-19-37(38)42)49(35-17-6-3-7-18-35)36-26-24-33(25-27-36)45-44(32-14-4-2-5-15-32)46-39-21-11-12-22-40(39)47-45/h2-30H,1H3.
What are the key properties of 4-(2-methylindol-1-yl)-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]naphthalen-1-amine?
4-(2-methylindol-1-yl)-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]naphthalen-1-amine has a molecular weight of 628.78 g/mol, XLogP of 11.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylindol-1-yl)-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 143543396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).