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

C74H69N5 — CID 143516130

IUPACN-[(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
SMILESC=CC.CC/C(=C\c1c(CC)n(-c2ccc3ccccc3c2)c2ccc(N(/C(=C/c3c(C)n(-c4ccccc4)c4ccccc34)CC)c3ccccc3)cc12)N(c1ccccc1)c1ccc2c(c1)c(C)c(C)n2-c1ccccc1
InChIInChI=1S/C71H63N5.C3H6/c1-7-54(45-65-51(6)73(57-30-16-11-17-31-57)69-37-25-24-36-63(65)69)74(58-32-18-12-19-33-58)62-41-43-71-67(48-62)66(68(9-3)76(71)60-39-38-52-26-22-23-27-53(52)44-60)46-55(8-2)75(59-34-20-13-21-35-59)61-40-42-70-64(47-61)49(4)50(5)72(70)56-28-14-10-15-29-56;1-3-2/h10-48H,7-9H2,1-6H3;3H,1H2,2H3/b54-45+,55-46+;
InChIKeyJKNDWUDUPQTNJX-BZECAFRSSA-N
MW1028.40 g/mol
LogP20.53
Rot. Bonds14

About 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

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 (PubChem CID 143516130) has the molecular formula C74H69N5 and a molecular weight of 1028.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID143516130
Molecular FormulaC74H69N5
Molecular Weight1028.40 g/mol
Exact Mass1027.56
IUPAC NameN-[(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
SMILESC=CC.CC/C(=C\c1c(CC)n(-c2ccc3ccccc3c2)c2ccc(N(/C(=C/c3c(C)n(-c4ccccc4)c4ccccc34)CC)c3ccccc3)cc12)N(c1ccccc1)c1ccc2c(c1)c(C)c(C)n2-c1ccccc1
InChIInChI=1S/C71H63N5.C3H6/c1-7-54(45-65-51(6)73(57-30-16-11-17-31-57)69-37-25-24-36-63(65)69)74(58-32-18-12-19-33-58)62-41-43-71-67(48-62)66(68(9-3)76(71)60-39-38-52-26-22-23-27-53(52)44-60)46-55(8-2)75(59-34-20-13-21-35-59)61-40-42-70-64(47-61)49(4)50(5)72(70)56-28-14-10-15-29-56;1-3-2/h10-48H,7-9H2,1-6H3;3H,1H2,2H3/b54-45+,55-46+;
InChIKeyJKNDWUDUPQTNJX-BZECAFRSSA-N
XLogP20.53
TPSA21.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001028.40
LogP ≤ 520.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

3-[(Z)-but-1-enyl]-N-but-1-en-2-yl-2-methyl-1-naphthalen-2-yl-N-phenylindol-5-amine
CID 143516094
2-methyl-N-[(E)-1-(2-methyl-1-phenylindol-3-yl)prop-1-en-2-yl]-N,1-diphenylindol-5-amine
CID 143516134
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
N-[4-[5-[2,3-dimethyl-1-[4-(N-naphthalen-1-ylanilino)phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 59184226
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
4-N-(2-methyl-1-phenylindol-5-yl)-4-N-naphthalen-2-yl-1-N,1-N-diphenylbenzene-1,4-diamine;prop-1-ene
CID 143216489
N-[4-[5-[2,3-dimethyl-1-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine
CID 59184250
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
N-[4-[5-[2,3-dimethyl-1-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-4-methyl-N-(4-phenylphenyl)aniline;N-[4-[5-[2,3-dimethyl-1-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine;N-[4-[5-[2,3-dimethyl-1-[4-(N-(4-phenylphenyl)anilino)phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-N,4-diphenylaniline
CID 158168687
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
9-naphthalen-2-yl-2-N,4-N,4-N-triphenyl-2-N-(9-phenylcarbazol-3-yl)carbazole-2,4-diamine
CID 154965674
buta-1,3-diene;N-phenyl-N-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]naphthalen-2-amine
CID 145273332

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CC.CC/C(=C\c1c(CC)n(-c2ccc3ccccc3c2)c2ccc(N(/C(=C/c3c(C)n(-c4ccccc4)c4ccccc34)CC)c3ccccc3)cc12)N(c1ccccc1)c1ccc2c(c1)c(C)c(C)n2-c1ccccc1.
What is the InChIKey of 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?
The InChIKey is JKNDWUDUPQTNJX-BZECAFRSSA-N. The full InChI is InChI=1S/C71H63N5.C3H6/c1-7-54(45-65-51(6)73(57-30-16-11-17-31-57)69-37-25-24-36-63(65)69)74(58-32-18-12-19-33-58)62-41-43-71-67(48-62)66(68(9-3)76(71)60-39-38-52-26-22-23-27-53(52)44-60)46-55(8-2)75(59-34-20-13-21-35-59)61-40-42-70-64(47-61)49(4)50(5)72(70)56-28-14-10-15-29-56;1-3-2/h10-48H,7-9H2,1-6H3;3H,1H2,2H3/b54-45+,55-46+;.
What are the key properties of 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?
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 has a molecular weight of 1028.40 g/mol, XLogP of 20.53, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 143516130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).