1-ethenyl-3,3-dimethyl-N-[4-[3-methyl-2-[(1Z)-2-methylbuta-1,3-dienyl]-1-phenylindol-5-yl]phenyl]-N-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]inden-5-amine

C54H48N2 — CID 144725239

IUPAC1-ethenyl-3,3-dimethyl-N-[4-[3-methyl-2-[(1Z)-2-methylbuta-1,3-dienyl]-1-phenylindol-5-yl]phenyl]-N-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]inden-5-amine
SMILESC=CC1=C(/C=C\C)C(C)(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c(C)c(/C=C(/C)C=C)n5-c4ccccc4)cc3)ccc21
InChIInChI=1S/C54H48N2/c1-8-17-50-47(10-3)48-32-31-46(36-51(48)54(50,6)7)55(44-27-22-40(23-28-44)39-18-13-11-14-19-39)45-29-24-41(25-30-45)42-26-33-52-49(35-42)38(5)53(34-37(4)9-2)56(52)43-20-15-12-16-21-43/h8-36H,2-3H2,1,4-7H3/b17-8-,37-34-
InChIKeyWEPAVLTVGSMHRV-ZBCICDCBSA-N
MW724.99 g/mol
LogP15.14
Rot. Bonds10

About 1-ethenyl-3,3-dimethyl-N-[4-[3-methyl-2-[(1Z)-2-methylbuta-1,3-dienyl]-1-phenylindol-5-yl]phenyl]-N-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]inden-5-amine

1-ethenyl-3,3-dimethyl-N-[4-[3-methyl-2-[(1Z)-2-methylbuta-1,3-dienyl]-1-phenylindol-5-yl]phenyl]-N-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]inden-5-amine (PubChem CID 144725239) has the molecular formula C54H48N2 and a molecular weight of 724.99 g/mol. Its IUPAC name is 1-ethenyl-3,3-dimethyl-N-[4-[3-methyl-2-[(1Z)-2-methylbuta-1,3-dienyl]-1-phenylindol-5-yl]phenyl]-N-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]inden-5-amine.

Molecular Properties

Compound Name1-ethenyl-3,3-dimethyl-N-[4-[3-methyl-2-[(1Z)-2-methylbuta-1,3-dienyl]-1-phenylindol-5-yl]phenyl]-N-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]inden-5-amine
PubChem CID144725239
Molecular FormulaC54H48N2
Molecular Weight724.99 g/mol
Exact Mass724.38
IUPAC Name1-ethenyl-3,3-dimethyl-N-[4-[3-methyl-2-[(1Z)-2-methylbuta-1,3-dienyl]-1-phenylindol-5-yl]phenyl]-N-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]inden-5-amine
SMILESC=CC1=C(/C=C\C)C(C)(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c(C)c(/C=C(/C)C=C)n5-c4ccccc4)cc3)ccc21
InChIInChI=1S/C54H48N2/c1-8-17-50-47(10-3)48-32-31-46(36-51(48)54(50,6)7)55(44-27-22-40(23-28-44)39-18-13-11-14-19-39)45-29-24-41(25-30-45)42-26-33-52-49(35-42)38(5)53(34-37(4)9-2)56(52)43-20-15-12-16-21-43/h8-36H,2-3H2,1,4-7H3/b17-8-,37-34-
InChIKeyWEPAVLTVGSMHRV-ZBCICDCBSA-N
XLogP15.14
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.99
LogP ≤ 515.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9,9-dimethyl-N-[4-[3-methyl-1-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]indol-5-yl]phenyl]-N-phenylfluoren-2-amine
CID 139334521
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]phenyl]-9,9-dimethylfluoren-2-amine
CID 137468978
2'-ethenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine
CID 167024948
N-[4-[2-ethenyl-1-(3-methylphenyl)-3-[(Z)-prop-1-enyl]indol-5-yl]phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118487124
ethane;7-(N-[4-[2-ethenyl-1-(4-methylphenyl)-3-[(Z)-prop-1-enyl]indol-5-yl]phenyl]-4-phenylanilino)-9,9-dimethylfluorene-3-carbaldehyde
CID 145019798
N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 87412305
N-[4-[4-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-yl]phenyl]phenyl]-N,4-diphenylaniline
CID 170106811
N-[4-[2-[(1Z)-buta-1,3-dienyl]-3-methyl-1-phenylindol-5-yl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 170378651
N-[4-(9H-carbazol-3-yl)phenyl]-2-ethenyl-3,3-dimethyl-N-(4-phenylphenyl)-1-[(Z)-prop-1-enyl]inden-5-amine
CID 145426312
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-phenylphenyl)fluorene-2,7-diamine;7-(3,6-diphenylcarbazol-9-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158713660
1-ethenyl-3,3-dimethyl-N-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]-N-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]inden-5-amine
CID 121463230
ethane;2-ethenyl-3,3-dimethyl-N-[4-(3-methyl-1H-indol-5-yl)phenyl]-N-(4-phenylphenyl)-1-[(Z)-prop-1-enyl]inden-5-amine
CID 145426280

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3,3-dimethyl-N-[4-[3-methyl-2-[(1Z)-2-methylbuta-1,3-dienyl]-1-phenylindol-5-yl]phenyl]-N-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]inden-5-amine?
The IUPAC name of 1-ethenyl-3,3-dimethyl-N-[4-[3-methyl-2-[(1Z)-2-methylbuta-1,3-dienyl]-1-phenylindol-5-yl]phenyl]-N-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]inden-5-amine (CID 144725239) is 1-ethenyl-3,3-dimethyl-N-[4-[3-methyl-2-[(1Z)-2-methylbuta-1,3-dienyl]-1-phenylindol-5-yl]phenyl]-N-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]inden-5-amine.
What is the SMILES notation for 1-ethenyl-3,3-dimethyl-N-[4-[3-methyl-2-[(1Z)-2-methylbuta-1,3-dienyl]-1-phenylindol-5-yl]phenyl]-N-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]inden-5-amine?
The canonical SMILES for 1-ethenyl-3,3-dimethyl-N-[4-[3-methyl-2-[(1Z)-2-methylbuta-1,3-dienyl]-1-phenylindol-5-yl]phenyl]-N-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]inden-5-amine is C=CC1=C(/C=C\C)C(C)(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c(C)c(/C=C(/C)C=C)n5-c4ccccc4)cc3)ccc21.
What is the InChIKey of 1-ethenyl-3,3-dimethyl-N-[4-[3-methyl-2-[(1Z)-2-methylbuta-1,3-dienyl]-1-phenylindol-5-yl]phenyl]-N-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]inden-5-amine?
The InChIKey is WEPAVLTVGSMHRV-ZBCICDCBSA-N. The full InChI is InChI=1S/C54H48N2/c1-8-17-50-47(10-3)48-32-31-46(36-51(48)54(50,6)7)55(44-27-22-40(23-28-44)39-18-13-11-14-19-39)45-29-24-41(25-30-45)42-26-33-52-49(35-42)38(5)53(34-37(4)9-2)56(52)43-20-15-12-16-21-43/h8-36H,2-3H2,1,4-7H3/b17-8-,37-34-.
What are the key properties of 1-ethenyl-3,3-dimethyl-N-[4-[3-methyl-2-[(1Z)-2-methylbuta-1,3-dienyl]-1-phenylindol-5-yl]phenyl]-N-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]inden-5-amine?
1-ethenyl-3,3-dimethyl-N-[4-[3-methyl-2-[(1Z)-2-methylbuta-1,3-dienyl]-1-phenylindol-5-yl]phenyl]-N-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]inden-5-amine has a molecular weight of 724.99 g/mol, XLogP of 15.14, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3,3-dimethyl-N-[4-[3-methyl-2-[(1Z)-2-methylbuta-1,3-dienyl]-1-phenylindol-5-yl]phenyl]-N-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]inden-5-amine is sourced from PubChem (CID 144725239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).