1-[3-[3-amino-5-(5-phenyl-3-pyridinyl)-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]-5-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-pyridinyl]-2-[(Z)-prop-1-enyl]indol-3-amine;ethane;ethene

C54H54N6 — CID 144687360

IUPAC1-[3-[3-amino-5-(5-phenyl-3-pyridinyl)-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]-5-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-pyridinyl]-2-[(Z)-prop-1-enyl]indol-3-amine;ethane;ethene
SMILESC/C=C\C(=C/C)c1cncc(-c2ccc3c(c2)c(N)c(/C=C\C)n3-c2cccc(-n3c(/C=C\C)c(N)c4cc(-c5cncc(-c6ccccc6)c5)ccc43)c2)c1.C=C.CC
InChIInChI=1S/C50H44N6.C2H6.C2H4/c1-5-13-33(8-4)37-24-39(31-53-29-37)35-20-22-45-43(26-35)49(51)47(14-6-2)55(45)41-18-12-19-42(28-41)56-46-23-21-36(27-44(46)50(52)48(56)15-7-3)40-25-38(30-54-32-40)34-16-10-9-11-17-34;2*1-2/h5-32H,51-52H2,1-4H3;1-2H3;1-2H2/b13-5-,14-6-,15-7-,33-8+;;
InChIKeyVIRYAJISQMYNHS-KKOYPSINSA-N
MW787.07 g/mol
LogP14.40
Rot. Bonds9

About 1-[3-[3-amino-5-(5-phenyl-3-pyridinyl)-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]-5-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-pyridinyl]-2-[(Z)-prop-1-enyl]indol-3-amine;ethane;ethene

1-[3-[3-amino-5-(5-phenyl-3-pyridinyl)-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]-5-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-pyridinyl]-2-[(Z)-prop-1-enyl]indol-3-amine;ethane;ethene (PubChem CID 144687360) has the molecular formula C54H54N6 and a molecular weight of 787.07 g/mol. Its IUPAC name is 1-[3-[3-amino-5-(5-phenyl-3-pyridinyl)-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]-5-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-pyridinyl]-2-[(Z)-prop-1-enyl]indol-3-amine;ethane;ethene.

Molecular Properties

Compound Name1-[3-[3-amino-5-(5-phenyl-3-pyridinyl)-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]-5-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-pyridinyl]-2-[(Z)-prop-1-enyl]indol-3-amine;ethane;ethene
PubChem CID144687360
Molecular FormulaC54H54N6
Molecular Weight787.07 g/mol
Exact Mass786.44
IUPAC Name1-[3-[3-amino-5-(5-phenyl-3-pyridinyl)-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]-5-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-pyridinyl]-2-[(Z)-prop-1-enyl]indol-3-amine;ethane;ethene
SMILESC/C=C\C(=C/C)c1cncc(-c2ccc3c(c2)c(N)c(/C=C\C)n3-c2cccc(-n3c(/C=C\C)c(N)c4cc(-c5cncc(-c6ccccc6)c5)ccc43)c2)c1.C=C.CC
InChIInChI=1S/C50H44N6.C2H6.C2H4/c1-5-13-33(8-4)37-24-39(31-53-29-37)35-20-22-45-43(26-35)49(51)47(14-6-2)55(45)41-18-12-19-42(28-41)56-46-23-21-36(27-44(46)50(52)48(56)15-7-3)40-25-38(30-54-32-40)34-16-10-9-11-17-34;2*1-2/h5-32H,51-52H2,1-4H3;1-2H3;1-2H2/b13-5-,14-6-,15-7-,33-8+;;
InChIKeyVIRYAJISQMYNHS-KKOYPSINSA-N
XLogP14.40
TPSA87.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.07
LogP ≤ 514.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[3-[3-amino-5-(5-phenyl-3-pyridinyl)-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]-5-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-pyridinyl]-2-[(Z)-prop-1-enyl]indol-3-amine;ethane;ethene with MolForge

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Related Compounds

9-[4-[5-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-3,6-diphenylcarbazole
CID 59372075
3-methyl-1,5-diphenyl-2-[(Z)-prop-1-enyl]indole
CID 139299207
1-[3-[2-(3-phenylphenyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-2-[(Z)-prop-1-enyl]indol-3-amine
CID 130343527
9-[3-[5-(3-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole;3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 159084333
3-[9-(3,5-diphenylphenyl)-6-phenylcarbazol-3-yl]-6-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-9-(3-phenylphenyl)carbazole
CID 156510418
ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene
CID 145073107
3-[3-amino-5-[3-[10-(3-naphthalen-1-ylphenyl)-3,4-dihydroanthracen-9-yl]phenyl]-2-[(Z)-prop-1-enyl]indol-1-yl]benzenethiol
CID 130449911
9-phenyl-3-[5-(9-phenylcarbazol-3-yl)-3-pyridinyl]carbazole
CID 141339083
9-[3-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]phenyl]-3,6-diphenylcarbazole
CID 89433885
2-[(Z)-prop-1-enyl]-5-(2-pyridin-2-ylphenyl)-1-[3-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]phenyl]indol-3-amine
CID 144837100
3-[9-[3-[(3E,5Z)-hepta-3,5-dien-1-yn-4-yl]phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 170205271
1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene;methane
CID 144938526

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-amino-5-(5-phenyl-3-pyridinyl)-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]-5-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-pyridinyl]-2-[(Z)-prop-1-enyl]indol-3-amine;ethane;ethene?
The IUPAC name of 1-[3-[3-amino-5-(5-phenyl-3-pyridinyl)-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]-5-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-pyridinyl]-2-[(Z)-prop-1-enyl]indol-3-amine;ethane;ethene (CID 144687360) is 1-[3-[3-amino-5-(5-phenyl-3-pyridinyl)-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]-5-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-pyridinyl]-2-[(Z)-prop-1-enyl]indol-3-amine;ethane;ethene.
What is the SMILES notation for 1-[3-[3-amino-5-(5-phenyl-3-pyridinyl)-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]-5-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-pyridinyl]-2-[(Z)-prop-1-enyl]indol-3-amine;ethane;ethene?
The canonical SMILES for 1-[3-[3-amino-5-(5-phenyl-3-pyridinyl)-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]-5-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-pyridinyl]-2-[(Z)-prop-1-enyl]indol-3-amine;ethane;ethene is C/C=C\C(=C/C)c1cncc(-c2ccc3c(c2)c(N)c(/C=C\C)n3-c2cccc(-n3c(/C=C\C)c(N)c4cc(-c5cncc(-c6ccccc6)c5)ccc43)c2)c1.C=C.CC.
What is the InChIKey of 1-[3-[3-amino-5-(5-phenyl-3-pyridinyl)-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]-5-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-pyridinyl]-2-[(Z)-prop-1-enyl]indol-3-amine;ethane;ethene?
The InChIKey is VIRYAJISQMYNHS-KKOYPSINSA-N. The full InChI is InChI=1S/C50H44N6.C2H6.C2H4/c1-5-13-33(8-4)37-24-39(31-53-29-37)35-20-22-45-43(26-35)49(51)47(14-6-2)55(45)41-18-12-19-42(28-41)56-46-23-21-36(27-44(46)50(52)48(56)15-7-3)40-25-38(30-54-32-40)34-16-10-9-11-17-34;2*1-2/h5-32H,51-52H2,1-4H3;1-2H3;1-2H2/b13-5-,14-6-,15-7-,33-8+;;.
What are the key properties of 1-[3-[3-amino-5-(5-phenyl-3-pyridinyl)-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]-5-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-pyridinyl]-2-[(Z)-prop-1-enyl]indol-3-amine;ethane;ethene?
1-[3-[3-amino-5-(5-phenyl-3-pyridinyl)-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]-5-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-pyridinyl]-2-[(Z)-prop-1-enyl]indol-3-amine;ethane;ethene has a molecular weight of 787.07 g/mol, XLogP of 14.40, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-amino-5-(5-phenyl-3-pyridinyl)-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]-5-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-pyridinyl]-2-[(Z)-prop-1-enyl]indol-3-amine;ethane;ethene is sourced from PubChem (CID 144687360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).