3-[(Z)-but-1-enyl]-N-but-1-en-2-yl-2-methyl-1-naphthalen-2-yl-N-phenylindol-5-amine

C33H32N2 — CID 143516094

IUPAC3-[(Z)-but-1-enyl]-N-but-1-en-2-yl-2-methyl-1-naphthalen-2-yl-N-phenylindol-5-amine
SMILESC=C(CC)N(c1ccccc1)c1ccc2c(c1)c(/C=C\CC)c(C)n2-c1ccc2ccccc2c1
InChIInChI=1S/C33H32N2/c1-5-7-17-31-25(4)35(29-19-18-26-13-11-12-14-27(26)22-29)33-21-20-30(23-32(31)33)34(24(3)6-2)28-15-9-8-10-16-28/h7-23H,3,5-6H2,1-2,4H3/b17-7-
InChIKeyGMCJZGJURRHXPP-IDUWFGFVSA-N
MW456.63 g/mol
LogP9.58
Rot. Bonds7

About 3-[(Z)-but-1-enyl]-N-but-1-en-2-yl-2-methyl-1-naphthalen-2-yl-N-phenylindol-5-amine

3-[(Z)-but-1-enyl]-N-but-1-en-2-yl-2-methyl-1-naphthalen-2-yl-N-phenylindol-5-amine (PubChem CID 143516094) has the molecular formula C33H32N2 and a molecular weight of 456.63 g/mol. Its IUPAC name is 3-[(Z)-but-1-enyl]-N-but-1-en-2-yl-2-methyl-1-naphthalen-2-yl-N-phenylindol-5-amine.

Molecular Properties

Compound Name3-[(Z)-but-1-enyl]-N-but-1-en-2-yl-2-methyl-1-naphthalen-2-yl-N-phenylindol-5-amine
PubChem CID143516094
Molecular FormulaC33H32N2
Molecular Weight456.63 g/mol
Exact Mass456.26
IUPAC Name3-[(Z)-but-1-enyl]-N-but-1-en-2-yl-2-methyl-1-naphthalen-2-yl-N-phenylindol-5-amine
SMILESC=C(CC)N(c1ccccc1)c1ccc2c(c1)c(/C=C\CC)c(C)n2-c1ccc2ccccc2c1
InChIInChI=1S/C33H32N2/c1-5-7-17-31-25(4)35(29-19-18-26-13-11-12-14-27(26)22-29)33-21-20-30(23-32(31)33)34(24(3)6-2)28-15-9-8-10-16-28/h7-23H,3,5-6H2,1-2,4H3/b17-7-
InChIKeyGMCJZGJURRHXPP-IDUWFGFVSA-N
XLogP9.58
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.63
LogP ≤ 59.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(E)-1-[2-ethyl-5-(N-[(E)-1-(2-methyl-1-phenylindol-3-yl)but-1-en-2-yl]anilino)-1-naphthalen-2-ylindol-3-yl]but-1-en-2-yl]-2,3-dimethyl-N,1-diphenylindol-5-amine;prop-1-ene
CID 143516130
N-[4-[4-[3-[(Z)-but-1-enyl]-2-methylindol-1-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 167139489
2-methyl-N-[(E)-2-methyl-1-phenylbut-1-enyl]-9-naphthalen-2-yl-N,1-diphenylpyrrolo[2,3-b]carbazol-3-amine
CID 144646022
3,6-bis[4-(4-carbazol-9-ylphenyl)phenyl]-9-naphthalen-2-ylcarbazole;N,N-diphenyl-4-[4-[6-[4-[4-(N-phenylanilino)phenyl]phenyl]-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 159344155
6-naphthalen-2-yl-N-[4-[2-[4-(N-(6-naphthalen-2-yl-9-phenylcarbazol-3-yl)anilino)phenyl]ethenyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 76557049
9-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 59782759
7-naphthalen-2-yl-N,N-diphenylbenzo[c]carbazol-3-amine
CID 155034728
1-N-naphthalen-2-yl-3-N-[3-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 177275896
9-naphthalen-2-yl-2-N,4-N,4-N-triphenyl-2-N-(9-phenylcarbazol-3-yl)carbazole-2,4-diamine
CID 154965674
N-[4-[3,5-bis(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 121311226
N-[4-[5-[1-[4-(dinaphthalen-2-ylamino)phenyl]-2-methyl-3-phenylindol-5-yl]-2-methyl-3-phenylindol-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 59184359
N-[4-[3,5-bis(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 121311239

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-but-1-enyl]-N-but-1-en-2-yl-2-methyl-1-naphthalen-2-yl-N-phenylindol-5-amine?
The IUPAC name of 3-[(Z)-but-1-enyl]-N-but-1-en-2-yl-2-methyl-1-naphthalen-2-yl-N-phenylindol-5-amine (CID 143516094) is 3-[(Z)-but-1-enyl]-N-but-1-en-2-yl-2-methyl-1-naphthalen-2-yl-N-phenylindol-5-amine.
What is the SMILES notation for 3-[(Z)-but-1-enyl]-N-but-1-en-2-yl-2-methyl-1-naphthalen-2-yl-N-phenylindol-5-amine?
The canonical SMILES for 3-[(Z)-but-1-enyl]-N-but-1-en-2-yl-2-methyl-1-naphthalen-2-yl-N-phenylindol-5-amine is C=C(CC)N(c1ccccc1)c1ccc2c(c1)c(/C=C\CC)c(C)n2-c1ccc2ccccc2c1.
What is the InChIKey of 3-[(Z)-but-1-enyl]-N-but-1-en-2-yl-2-methyl-1-naphthalen-2-yl-N-phenylindol-5-amine?
The InChIKey is GMCJZGJURRHXPP-IDUWFGFVSA-N. The full InChI is InChI=1S/C33H32N2/c1-5-7-17-31-25(4)35(29-19-18-26-13-11-12-14-27(26)22-29)33-21-20-30(23-32(31)33)34(24(3)6-2)28-15-9-8-10-16-28/h7-23H,3,5-6H2,1-2,4H3/b17-7-.
What are the key properties of 3-[(Z)-but-1-enyl]-N-but-1-en-2-yl-2-methyl-1-naphthalen-2-yl-N-phenylindol-5-amine?
3-[(Z)-but-1-enyl]-N-but-1-en-2-yl-2-methyl-1-naphthalen-2-yl-N-phenylindol-5-amine has a molecular weight of 456.63 g/mol, XLogP of 9.58, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-but-1-enyl]-N-but-1-en-2-yl-2-methyl-1-naphthalen-2-yl-N-phenylindol-5-amine is sourced from PubChem (CID 143516094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).