N-[4-[4-[3-[(Z)-but-1-enyl]-2-methylindol-1-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C49H40N2 — CID 167139489

IUPACN-[4-[4-[3-[(Z)-but-1-enyl]-2-methylindol-1-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESCC/C=C\c1c(C)n(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)cc2)c2ccccc12
InChIInChI=1S/C49H40N2/c1-3-4-17-47-36(2)50(49-19-12-11-18-48(47)49)43-28-20-41(21-29-43)42-26-34-46(35-27-42)51(44-30-22-39(23-31-44)37-13-7-5-8-14-37)45-32-24-40(25-33-45)38-15-9-6-10-16-38/h4-35H,3H2,1-2H3/b17-4-
InChIKeyRSYAUTHDAOGBNC-INGKJJEOSA-N
MW656.87 g/mol
LogP13.83
Rot. Bonds9

About N-[4-[4-[3-[(Z)-but-1-enyl]-2-methylindol-1-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-[4-[3-[(Z)-but-1-enyl]-2-methylindol-1-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 167139489) has the molecular formula C49H40N2 and a molecular weight of 656.87 g/mol. Its IUPAC name is N-[4-[4-[3-[(Z)-but-1-enyl]-2-methylindol-1-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[4-[3-[(Z)-but-1-enyl]-2-methylindol-1-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID167139489
Molecular FormulaC49H40N2
Molecular Weight656.87 g/mol
Exact Mass656.32
IUPAC NameN-[4-[4-[3-[(Z)-but-1-enyl]-2-methylindol-1-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESCC/C=C\c1c(C)n(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)cc2)c2ccccc12
InChIInChI=1S/C49H40N2/c1-3-4-17-47-36(2)50(49-19-12-11-18-48(47)49)43-28-20-41(21-29-43)42-26-34-46(35-27-42)51(44-30-22-39(23-31-44)37-13-7-5-8-14-37)45-32-24-40(25-33-45)38-15-9-6-10-16-38/h4-35H,3H2,1-2H3/b17-4-
InChIKeyRSYAUTHDAOGBNC-INGKJJEOSA-N
XLogP13.83
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.87
LogP ≤ 513.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-[3-[(Z)-but-1-en-3-ynyl]-2-methylindol-1-yl]phenyl]phenyl]-N-methyl-4-phenylaniline
CID 145302967
N-[4-[4-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 156545419
N,4-bis(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 90296019
4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 160833805
N,4-bis(4-carbazol-9-ylphenyl)-N-[4-(4-carbazol-9-ylphenyl)phenyl]aniline
CID 20608008
3,6-bis(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158023150
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 153303724
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 138467443
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 67472360
N-phenyl-9-(4-phenylphenyl)-N-[4-[2-[4-(N-[9-(4-phenylphenyl)carbazol-3-yl]anilino)phenyl]ethenyl]phenyl]carbazol-3-amine
CID 76557074
4-N-[4-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 137384769

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[3-[(Z)-but-1-enyl]-2-methylindol-1-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-[4-[3-[(Z)-but-1-enyl]-2-methylindol-1-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 167139489) is N-[4-[4-[3-[(Z)-but-1-enyl]-2-methylindol-1-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-[4-[3-[(Z)-but-1-enyl]-2-methylindol-1-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-[4-[3-[(Z)-but-1-enyl]-2-methylindol-1-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is CC/C=C\c1c(C)n(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)cc2)c2ccccc12.
What is the InChIKey of N-[4-[4-[3-[(Z)-but-1-enyl]-2-methylindol-1-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is RSYAUTHDAOGBNC-INGKJJEOSA-N. The full InChI is InChI=1S/C49H40N2/c1-3-4-17-47-36(2)50(49-19-12-11-18-48(47)49)43-28-20-41(21-29-43)42-26-34-46(35-27-42)51(44-30-22-39(23-31-44)37-13-7-5-8-14-37)45-32-24-40(25-33-45)38-15-9-6-10-16-38/h4-35H,3H2,1-2H3/b17-4-.
What are the key properties of N-[4-[4-[3-[(Z)-but-1-enyl]-2-methylindol-1-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-[4-[3-[(Z)-but-1-enyl]-2-methylindol-1-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 656.87 g/mol, XLogP of 13.83, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[3-[(Z)-but-1-enyl]-2-methylindol-1-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 167139489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).