ethane;2-[(1Z,3Z,5E)-hepta-1,3,5-trienyl]-9,9-dimethylfluorene;3-[(E)-2-[3-(4-methylphenyl)phenyl]ethenyl]-1-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]indole

C62H59N — CID 144640095

IUPACethane;2-[(1Z,3Z,5E)-hepta-1,3,5-trienyl]-9,9-dimethylfluorene;3-[(E)-2-[3-(4-methylphenyl)phenyl]ethenyl]-1-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]indole
SMILESC/C=C/C=C\C=C/c1ccc2c(c1)C(C)(C)c1ccccc1-2.C/C=C\c1c(/C=C/c2cccc(-c3ccc(C)cc3)c2)c2ccccc2n1-c1ccc(-c2ccccc2)cc1.CC
InChIInChI=1S/C38H31N.C22H22.C2H6/c1-3-10-37-36(26-19-29-11-9-14-33(27-29)32-20-17-28(2)18-21-32)35-15-7-8-16-38(35)39(37)34-24-22-31(23-25-34)30-12-5-4-6-13-30;1-4-5-6-7-8-11-17-14-15-19-18-12-9-10-13-20(18)22(2,3)21(19)16-17;1-2/h3-27H,1-2H3;4-16H,1-3H3;1-2H3/b10-3-,26-19+;5-4+,7-6-,11-8-;
InChIKeyHJJVJJDPQWJZGX-LDCRKDBYSA-N
MW818.16 g/mol
LogP17.64
Rot. Bonds9

About ethane;2-[(1Z,3Z,5E)-hepta-1,3,5-trienyl]-9,9-dimethylfluorene;3-[(E)-2-[3-(4-methylphenyl)phenyl]ethenyl]-1-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]indole

ethane;2-[(1Z,3Z,5E)-hepta-1,3,5-trienyl]-9,9-dimethylfluorene;3-[(E)-2-[3-(4-methylphenyl)phenyl]ethenyl]-1-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]indole (PubChem CID 144640095) has the molecular formula C62H59N and a molecular weight of 818.16 g/mol. Its IUPAC name is ethane;2-[(1Z,3Z,5E)-hepta-1,3,5-trienyl]-9,9-dimethylfluorene;3-[(E)-2-[3-(4-methylphenyl)phenyl]ethenyl]-1-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]indole.

Molecular Properties

Compound Nameethane;2-[(1Z,3Z,5E)-hepta-1,3,5-trienyl]-9,9-dimethylfluorene;3-[(E)-2-[3-(4-methylphenyl)phenyl]ethenyl]-1-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]indole
PubChem CID144640095
Molecular FormulaC62H59N
Molecular Weight818.16 g/mol
Exact Mass817.46
IUPAC Nameethane;2-[(1Z,3Z,5E)-hepta-1,3,5-trienyl]-9,9-dimethylfluorene;3-[(E)-2-[3-(4-methylphenyl)phenyl]ethenyl]-1-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]indole
SMILESC/C=C/C=C\C=C/c1ccc2c(c1)C(C)(C)c1ccccc1-2.C/C=C\c1c(/C=C/c2cccc(-c3ccc(C)cc3)c2)c2ccccc2n1-c1ccc(-c2ccccc2)cc1.CC
InChIInChI=1S/C38H31N.C22H22.C2H6/c1-3-10-37-36(26-19-29-11-9-14-33(27-29)32-20-17-28(2)18-21-32)35-15-7-8-16-38(35)39(37)34-24-22-31(23-25-34)30-12-5-4-6-13-30;1-4-5-6-7-8-11-17-14-15-19-18-12-9-10-13-20(18)22(2,3)21(19)16-17;1-2/h3-27H,1-2H3;4-16H,1-3H3;1-2H3/b10-3-,26-19+;5-4+,7-6-,11-8-;
InChIKeyHJJVJJDPQWJZGX-LDCRKDBYSA-N
XLogP17.64
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.16
LogP ≤ 517.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;2-[(1Z,3Z,5E)-hepta-1,3,5-trienyl]-9,9-dimethylfluorene;3-[(E)-2-[3-(4-methylphenyl)phenyl]ethenyl]-1-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]indole with MolForge

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Related Compounds

3-[3-[3-[(Z)-2-[3,3-dimethyl-2-[(E)-prop-1-enyl]inden-1-yl]ethenyl]phenyl]phenyl]-9-(4-phenylphenyl)carbazole
CID 144640124
3-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-9-(4-methylphenyl)-6-phenylcarbazole
CID 143904791
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
3-[4-[(E)-2-[7-[9-(3,5-dimethylphenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-9-phenylcarbazole
CID 59236659
3-[(E)-2-[4-[7-[9,9-dimethyl-7-[4-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]ethenyl]-9-phenylcarbazole
CID 59236662
3-[4-[(E)-2-[7-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-9-phenylcarbazole;3-[4-[(E)-2-[4-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]phenyl]ethenyl]phenyl]-9-phenylcarbazole;3-[(E)-2-[4-[7-[9-(3,5-dimethylphenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-yl]phenyl]ethenyl]-9-phenylcarbazole;3-[9,9-dimethyl-7-[4-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]phenyl]fluoren-2-yl]-9-(4-phenylphenyl)carbazole;3-[4-[(E)-2-[4-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]phenyl]ethenyl]phenyl]-9-phenylcarbazole
CID 159938026
9-(9,9-dimethylfluoren-2-yl)-3-[4-[(E)-2-[7-[3-[9-(3-methylphenyl)fluoren-9-yl]phenyl]-9,9-diphenylfluoren-2-yl]ethenyl]phenyl]carbazole
CID 59236572
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163801693
9-phenyl-3-[(E)-2-[4-[6,6,12,12-tetramethyl-2-[4-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]phenyl]indeno[1,2-b]fluoren-8-yl]phenyl]ethenyl]carbazole
CID 59236371
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-[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
9,9-dimethyl-2-[4-[(E)-2-phenylethenyl]phenyl]fluorene
CID 59217045

Frequently Asked Questions

What is the IUPAC name of ethane;2-[(1Z,3Z,5E)-hepta-1,3,5-trienyl]-9,9-dimethylfluorene;3-[(E)-2-[3-(4-methylphenyl)phenyl]ethenyl]-1-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]indole?
The IUPAC name of ethane;2-[(1Z,3Z,5E)-hepta-1,3,5-trienyl]-9,9-dimethylfluorene;3-[(E)-2-[3-(4-methylphenyl)phenyl]ethenyl]-1-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]indole (CID 144640095) is ethane;2-[(1Z,3Z,5E)-hepta-1,3,5-trienyl]-9,9-dimethylfluorene;3-[(E)-2-[3-(4-methylphenyl)phenyl]ethenyl]-1-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]indole.
What is the SMILES notation for ethane;2-[(1Z,3Z,5E)-hepta-1,3,5-trienyl]-9,9-dimethylfluorene;3-[(E)-2-[3-(4-methylphenyl)phenyl]ethenyl]-1-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]indole?
The canonical SMILES for ethane;2-[(1Z,3Z,5E)-hepta-1,3,5-trienyl]-9,9-dimethylfluorene;3-[(E)-2-[3-(4-methylphenyl)phenyl]ethenyl]-1-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]indole is C/C=C/C=C\C=C/c1ccc2c(c1)C(C)(C)c1ccccc1-2.C/C=C\c1c(/C=C/c2cccc(-c3ccc(C)cc3)c2)c2ccccc2n1-c1ccc(-c2ccccc2)cc1.CC.
What is the InChIKey of ethane;2-[(1Z,3Z,5E)-hepta-1,3,5-trienyl]-9,9-dimethylfluorene;3-[(E)-2-[3-(4-methylphenyl)phenyl]ethenyl]-1-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]indole?
The InChIKey is HJJVJJDPQWJZGX-LDCRKDBYSA-N. The full InChI is InChI=1S/C38H31N.C22H22.C2H6/c1-3-10-37-36(26-19-29-11-9-14-33(27-29)32-20-17-28(2)18-21-32)35-15-7-8-16-38(35)39(37)34-24-22-31(23-25-34)30-12-5-4-6-13-30;1-4-5-6-7-8-11-17-14-15-19-18-12-9-10-13-20(18)22(2,3)21(19)16-17;1-2/h3-27H,1-2H3;4-16H,1-3H3;1-2H3/b10-3-,26-19+;5-4+,7-6-,11-8-;.
What are the key properties of ethane;2-[(1Z,3Z,5E)-hepta-1,3,5-trienyl]-9,9-dimethylfluorene;3-[(E)-2-[3-(4-methylphenyl)phenyl]ethenyl]-1-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]indole?
ethane;2-[(1Z,3Z,5E)-hepta-1,3,5-trienyl]-9,9-dimethylfluorene;3-[(E)-2-[3-(4-methylphenyl)phenyl]ethenyl]-1-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]indole has a molecular weight of 818.16 g/mol, XLogP of 17.64, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(1Z,3Z,5E)-hepta-1,3,5-trienyl]-9,9-dimethylfluorene;3-[(E)-2-[3-(4-methylphenyl)phenyl]ethenyl]-1-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]indole is sourced from PubChem (CID 144640095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).