ethane;N-[4-(3-naphthalen-1-ylquinoxalin-2-yl)phenyl]-N-phenyl-9H-carbazol-3-amine;propane

C47H42N4 — CID 143543385

IUPACethane;N-[4-(3-naphthalen-1-ylquinoxalin-2-yl)phenyl]-N-phenyl-9H-carbazol-3-amine;propane
SMILESCC.CCC.c1ccc(N(c2ccc(-c3nc4ccccc4nc3-c3cccc4ccccc34)cc2)c2ccc3[nH]c4ccccc4c3c2)cc1
InChIInChI=1S/C42H28N4.C3H8.C2H6/c1-2-13-30(14-3-1)46(32-25-26-38-36(27-32)34-16-6-7-18-37(34)43-38)31-23-21-29(22-24-31)41-42(45-40-20-9-8-19-39(40)44-41)35-17-10-12-28-11-4-5-15-33(28)35;1-3-2;1-2/h1-27,43H;3H2,1-2H3;1-2H3
InChIKeyGKPWABLHAWWMIM-UHFFFAOYSA-N
MW662.88 g/mol
LogP13.66
Rot. Bonds5

About ethane;N-[4-(3-naphthalen-1-ylquinoxalin-2-yl)phenyl]-N-phenyl-9H-carbazol-3-amine;propane

ethane;N-[4-(3-naphthalen-1-ylquinoxalin-2-yl)phenyl]-N-phenyl-9H-carbazol-3-amine;propane (PubChem CID 143543385) has the molecular formula C47H42N4 and a molecular weight of 662.88 g/mol. Its IUPAC name is ethane;N-[4-(3-naphthalen-1-ylquinoxalin-2-yl)phenyl]-N-phenyl-9H-carbazol-3-amine;propane.

Molecular Properties

Compound Nameethane;N-[4-(3-naphthalen-1-ylquinoxalin-2-yl)phenyl]-N-phenyl-9H-carbazol-3-amine;propane
PubChem CID143543385
Molecular FormulaC47H42N4
Molecular Weight662.88 g/mol
Exact Mass662.34
IUPAC Nameethane;N-[4-(3-naphthalen-1-ylquinoxalin-2-yl)phenyl]-N-phenyl-9H-carbazol-3-amine;propane
SMILESCC.CCC.c1ccc(N(c2ccc(-c3nc4ccccc4nc3-c3cccc4ccccc34)cc2)c2ccc3[nH]c4ccccc4c3c2)cc1
InChIInChI=1S/C42H28N4.C3H8.C2H6/c1-2-13-30(14-3-1)46(32-25-26-38-36(27-32)34-16-6-7-18-37(34)43-38)31-23-21-29(22-24-31)41-42(45-40-20-9-8-19-39(40)44-41)35-17-10-12-28-11-4-5-15-33(28)35;1-3-2;1-2/h1-27,43H;3H2,1-2H3;1-2H3
InChIKeyGKPWABLHAWWMIM-UHFFFAOYSA-N
XLogP13.66
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.88
LogP ≤ 513.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[3-(4-ethylphenyl)-8-(4-phenylphenyl)quinoxalin-2-yl]phenyl]-N-phenyl-9H-carbazol-3-amine
CID 143543257
4-[4-[4-[4-(9H-carbazol-3-yl)phenyl]phenyl]phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 153492707
4-(9H-carbazol-3-yl)-N,N-diphenylaniline;ethane
CID 144639434
bromoethane;4-(9H-carbazol-3-yl)-N,N-diphenylaniline
CID 144639430
N,3-diphenyl-N-[4-[4-[3-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]quinoxalin-2-yl]phenyl]phenyl]aniline
CID 59702508
1-N-methyl-4-N-[4-(5-naphthalen-1-yl-3-phenylquinoxalin-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 143543405
9-naphthalen-1-yl-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]carbazol-3-amine
CID 59260051
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
N-[4-(8-naphthalen-1-yl-3-phenylquinoxalin-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine
CID 59259899
3-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501995
3-naphthalen-1-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167324009
ethane;N-(4-naphthalen-1-ylphenyl)-N,4-diphenylaniline
CID 143813904

Frequently Asked Questions

What is the IUPAC name of ethane;N-[4-(3-naphthalen-1-ylquinoxalin-2-yl)phenyl]-N-phenyl-9H-carbazol-3-amine;propane?
The IUPAC name of ethane;N-[4-(3-naphthalen-1-ylquinoxalin-2-yl)phenyl]-N-phenyl-9H-carbazol-3-amine;propane (CID 143543385) is ethane;N-[4-(3-naphthalen-1-ylquinoxalin-2-yl)phenyl]-N-phenyl-9H-carbazol-3-amine;propane.
What is the SMILES notation for ethane;N-[4-(3-naphthalen-1-ylquinoxalin-2-yl)phenyl]-N-phenyl-9H-carbazol-3-amine;propane?
The canonical SMILES for ethane;N-[4-(3-naphthalen-1-ylquinoxalin-2-yl)phenyl]-N-phenyl-9H-carbazol-3-amine;propane is CC.CCC.c1ccc(N(c2ccc(-c3nc4ccccc4nc3-c3cccc4ccccc34)cc2)c2ccc3[nH]c4ccccc4c3c2)cc1.
What is the InChIKey of ethane;N-[4-(3-naphthalen-1-ylquinoxalin-2-yl)phenyl]-N-phenyl-9H-carbazol-3-amine;propane?
The InChIKey is GKPWABLHAWWMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N4.C3H8.C2H6/c1-2-13-30(14-3-1)46(32-25-26-38-36(27-32)34-16-6-7-18-37(34)43-38)31-23-21-29(22-24-31)41-42(45-40-20-9-8-19-39(40)44-41)35-17-10-12-28-11-4-5-15-33(28)35;1-3-2;1-2/h1-27,43H;3H2,1-2H3;1-2H3.
What are the key properties of ethane;N-[4-(3-naphthalen-1-ylquinoxalin-2-yl)phenyl]-N-phenyl-9H-carbazol-3-amine;propane?
ethane;N-[4-(3-naphthalen-1-ylquinoxalin-2-yl)phenyl]-N-phenyl-9H-carbazol-3-amine;propane has a molecular weight of 662.88 g/mol, XLogP of 13.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[4-(3-naphthalen-1-ylquinoxalin-2-yl)phenyl]-N-phenyl-9H-carbazol-3-amine;propane is sourced from PubChem (CID 143543385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).