N-[4-[2-ethenyl-1-[(Z)-prop-1-enyl]-3H-inden-4-yl]phenyl]-N-[4-[3-methyl-4-[(3E,5Z)-4-methylhepta-3,5-dien-3-yl]-2-(2-methylphenyl)phenyl]phenyl]-4-phenylaniline

C60H55N — CID 145354931

IUPACN-[4-[2-ethenyl-1-[(Z)-prop-1-enyl]-3H-inden-4-yl]phenyl]-N-[4-[3-methyl-4-[(3E,5Z)-4-methylhepta-3,5-dien-3-yl]-2-(2-methylphenyl)phenyl]phenyl]-4-phenylaniline
SMILESC=CC1=C(/C=C\C)c2cccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc(/C(CC)=C(C)/C=C\C)c(C)c5-c5ccccc5C)cc4)cc3)c2C1
InChIInChI=1S/C60H55N/c1-8-18-41(5)52(11-4)54-38-39-57(60(43(54)7)53-23-16-15-20-42(53)6)48-30-36-51(37-31-48)61(49-32-26-46(27-33-49)45-21-13-12-14-22-45)50-34-28-47(29-35-50)56-24-17-25-58-55(19-9-2)44(10-3)40-59(56)58/h8-10,12-39H,3,11,40H2,1-2,4-7H3/b18-8-,19-9-,52-41+
InChIKeyRVXYUZMGRUUDFX-UQJBDAMFSA-N
MW790.11 g/mol
LogP17.27
Rot. Bonds12

About N-[4-[2-ethenyl-1-[(Z)-prop-1-enyl]-3H-inden-4-yl]phenyl]-N-[4-[3-methyl-4-[(3E,5Z)-4-methylhepta-3,5-dien-3-yl]-2-(2-methylphenyl)phenyl]phenyl]-4-phenylaniline

N-[4-[2-ethenyl-1-[(Z)-prop-1-enyl]-3H-inden-4-yl]phenyl]-N-[4-[3-methyl-4-[(3E,5Z)-4-methylhepta-3,5-dien-3-yl]-2-(2-methylphenyl)phenyl]phenyl]-4-phenylaniline (PubChem CID 145354931) has the molecular formula C60H55N and a molecular weight of 790.11 g/mol. Its IUPAC name is N-[4-[2-ethenyl-1-[(Z)-prop-1-enyl]-3H-inden-4-yl]phenyl]-N-[4-[3-methyl-4-[(3E,5Z)-4-methylhepta-3,5-dien-3-yl]-2-(2-methylphenyl)phenyl]phenyl]-4-phenylaniline.

Molecular Properties

Compound NameN-[4-[2-ethenyl-1-[(Z)-prop-1-enyl]-3H-inden-4-yl]phenyl]-N-[4-[3-methyl-4-[(3E,5Z)-4-methylhepta-3,5-dien-3-yl]-2-(2-methylphenyl)phenyl]phenyl]-4-phenylaniline
PubChem CID145354931
Molecular FormulaC60H55N
Molecular Weight790.11 g/mol
Exact Mass789.43
IUPAC NameN-[4-[2-ethenyl-1-[(Z)-prop-1-enyl]-3H-inden-4-yl]phenyl]-N-[4-[3-methyl-4-[(3E,5Z)-4-methylhepta-3,5-dien-3-yl]-2-(2-methylphenyl)phenyl]phenyl]-4-phenylaniline
SMILESC=CC1=C(/C=C\C)c2cccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc(/C(CC)=C(C)/C=C\C)c(C)c5-c5ccccc5C)cc4)cc3)c2C1
InChIInChI=1S/C60H55N/c1-8-18-41(5)52(11-4)54-38-39-57(60(43(54)7)53-23-16-15-20-42(53)6)48-30-36-51(37-31-48)61(49-32-26-46(27-33-49)45-21-13-12-14-22-45)50-34-28-47(29-35-50)56-24-17-25-58-55(19-9-2)44(10-3)40-59(56)58/h8-10,12-39H,3,11,40H2,1-2,4-7H3/b18-8-,19-9-,52-41+
InChIKeyRVXYUZMGRUUDFX-UQJBDAMFSA-N
XLogP17.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.11
LogP ≤ 517.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-ethenyl-7-methyl-3-[(Z)-prop-1-enyl]-1H-indene
CID 143520012
N-[4-[2-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 144907542
N-[4-[3-(2-methylphenyl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 146556750
2-ethenyl-3-[(Z)-prop-1-enyl]-1H-indene
CID 58975510
4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 168788768
4-[(2Z,4Z)-2-(9,9-dimethylfluoren-2-yl)hexa-2,4-dien-3-yl]-3-phenyl-N,N-bis(4-phenylphenyl)aniline
CID 146631311
4-[2-methyl-3-(2-methylphenyl)phenyl]-3-phenyl-N-[(2Z,4E)-4-(4-phenylphenyl)hexa-2,4-dienyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 134320887
N-[4-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 145390574
N-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-(4-phenylphenyl)phenyl]-3-phenyl-N,4-bis(4-phenylphenyl)aniline
CID 134320776
N-[4-[(Z)-1-(2-methylphenyl)prop-1-enyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(2-phenylphenyl)-3-(4-phenylphenyl)aniline
CID 134194343
N-(4-chlorophenyl)-3'-ethenyl-N-(4-phenylphenyl)-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine
CID 144681311
N-[4-(9H-fluoren-1-yl)phenyl]-4-[4-(N-[4-(9H-fluoren-1-yl)phenyl]anilino)phenyl]-N-phenylaniline
CID 157272103

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-ethenyl-1-[(Z)-prop-1-enyl]-3H-inden-4-yl]phenyl]-N-[4-[3-methyl-4-[(3E,5Z)-4-methylhepta-3,5-dien-3-yl]-2-(2-methylphenyl)phenyl]phenyl]-4-phenylaniline?
The IUPAC name of N-[4-[2-ethenyl-1-[(Z)-prop-1-enyl]-3H-inden-4-yl]phenyl]-N-[4-[3-methyl-4-[(3E,5Z)-4-methylhepta-3,5-dien-3-yl]-2-(2-methylphenyl)phenyl]phenyl]-4-phenylaniline (CID 145354931) is N-[4-[2-ethenyl-1-[(Z)-prop-1-enyl]-3H-inden-4-yl]phenyl]-N-[4-[3-methyl-4-[(3E,5Z)-4-methylhepta-3,5-dien-3-yl]-2-(2-methylphenyl)phenyl]phenyl]-4-phenylaniline.
What is the SMILES notation for N-[4-[2-ethenyl-1-[(Z)-prop-1-enyl]-3H-inden-4-yl]phenyl]-N-[4-[3-methyl-4-[(3E,5Z)-4-methylhepta-3,5-dien-3-yl]-2-(2-methylphenyl)phenyl]phenyl]-4-phenylaniline?
The canonical SMILES for N-[4-[2-ethenyl-1-[(Z)-prop-1-enyl]-3H-inden-4-yl]phenyl]-N-[4-[3-methyl-4-[(3E,5Z)-4-methylhepta-3,5-dien-3-yl]-2-(2-methylphenyl)phenyl]phenyl]-4-phenylaniline is C=CC1=C(/C=C\C)c2cccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc(/C(CC)=C(C)/C=C\C)c(C)c5-c5ccccc5C)cc4)cc3)c2C1.
What is the InChIKey of N-[4-[2-ethenyl-1-[(Z)-prop-1-enyl]-3H-inden-4-yl]phenyl]-N-[4-[3-methyl-4-[(3E,5Z)-4-methylhepta-3,5-dien-3-yl]-2-(2-methylphenyl)phenyl]phenyl]-4-phenylaniline?
The InChIKey is RVXYUZMGRUUDFX-UQJBDAMFSA-N. The full InChI is InChI=1S/C60H55N/c1-8-18-41(5)52(11-4)54-38-39-57(60(43(54)7)53-23-16-15-20-42(53)6)48-30-36-51(37-31-48)61(49-32-26-46(27-33-49)45-21-13-12-14-22-45)50-34-28-47(29-35-50)56-24-17-25-58-55(19-9-2)44(10-3)40-59(56)58/h8-10,12-39H,3,11,40H2,1-2,4-7H3/b18-8-,19-9-,52-41+.
What are the key properties of N-[4-[2-ethenyl-1-[(Z)-prop-1-enyl]-3H-inden-4-yl]phenyl]-N-[4-[3-methyl-4-[(3E,5Z)-4-methylhepta-3,5-dien-3-yl]-2-(2-methylphenyl)phenyl]phenyl]-4-phenylaniline?
N-[4-[2-ethenyl-1-[(Z)-prop-1-enyl]-3H-inden-4-yl]phenyl]-N-[4-[3-methyl-4-[(3E,5Z)-4-methylhepta-3,5-dien-3-yl]-2-(2-methylphenyl)phenyl]phenyl]-4-phenylaniline has a molecular weight of 790.11 g/mol, XLogP of 17.27, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-ethenyl-1-[(Z)-prop-1-enyl]-3H-inden-4-yl]phenyl]-N-[4-[3-methyl-4-[(3E,5Z)-4-methylhepta-3,5-dien-3-yl]-2-(2-methylphenyl)phenyl]phenyl]-4-phenylaniline is sourced from PubChem (CID 145354931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).