9-[(3Z,5E)-4-[5-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]cyclopenta-1,3-dien-1-yl]-1-methyl-7-(4-phenylphenyl)naphthalen-2-yl]-5-methyl-6-(2-prop-2-ynylphenyl)hexa-1,3,5-trien-2-yl]-1,2-dihydrophenanthrene

C65H54 — CID 144839307

IUPAC9-[(3Z,5E)-4-[5-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]cyclopenta-1,3-dien-1-yl]-1-methyl-7-(4-phenylphenyl)naphthalen-2-yl]-5-methyl-6-(2-prop-2-ynylphenyl)hexa-1,3,5-trien-2-yl]-1,2-dihydrophenanthrene
SMILESC#CCc1ccccc1/C=C(C)/C(=C/C(=C)c1cc2c(c3ccccc13)C=CCC2)c1ccc2c(C3=CC=C(C(=C)/C=C\C=C/C)C3)cc(-c3ccc(-c4ccccc4)cc3)cc2c1C
InChIInChI=1S/C65H54/c1-7-9-11-21-44(3)52-34-35-55(40-52)65-43-56(51-32-30-50(31-33-51)49-22-12-10-13-23-49)42-64-47(6)57(36-37-61(64)65)62(45(4)38-53-25-15-14-24-48(53)20-8-2)39-46(5)63-41-54-26-16-17-27-58(54)59-28-18-19-29-60(59)63/h2,7,9-15,17-19,21-25,27-39,41-43H,3,5,16,20,26,40H2,1,4,6H3/b9-7-,21-11-,45-38+,62-39-
InChIKeyWTBQGLSAIWDENP-JWZCUDIFSA-N
MW835.15 g/mol
LogP17.37
Rot. Bonds12

About 9-[(3Z,5E)-4-[5-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]cyclopenta-1,3-dien-1-yl]-1-methyl-7-(4-phenylphenyl)naphthalen-2-yl]-5-methyl-6-(2-prop-2-ynylphenyl)hexa-1,3,5-trien-2-yl]-1,2-dihydrophenanthrene

9-[(3Z,5E)-4-[5-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]cyclopenta-1,3-dien-1-yl]-1-methyl-7-(4-phenylphenyl)naphthalen-2-yl]-5-methyl-6-(2-prop-2-ynylphenyl)hexa-1,3,5-trien-2-yl]-1,2-dihydrophenanthrene (PubChem CID 144839307) has the molecular formula C65H54 and a molecular weight of 835.15 g/mol. Its IUPAC name is 9-[(3Z,5E)-4-[5-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]cyclopenta-1,3-dien-1-yl]-1-methyl-7-(4-phenylphenyl)naphthalen-2-yl]-5-methyl-6-(2-prop-2-ynylphenyl)hexa-1,3,5-trien-2-yl]-1,2-dihydrophenanthrene.

Molecular Properties

Compound Name9-[(3Z,5E)-4-[5-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]cyclopenta-1,3-dien-1-yl]-1-methyl-7-(4-phenylphenyl)naphthalen-2-yl]-5-methyl-6-(2-prop-2-ynylphenyl)hexa-1,3,5-trien-2-yl]-1,2-dihydrophenanthrene
PubChem CID144839307
Molecular FormulaC65H54
Molecular Weight835.15 g/mol
Exact Mass834.42
IUPAC Name9-[(3Z,5E)-4-[5-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]cyclopenta-1,3-dien-1-yl]-1-methyl-7-(4-phenylphenyl)naphthalen-2-yl]-5-methyl-6-(2-prop-2-ynylphenyl)hexa-1,3,5-trien-2-yl]-1,2-dihydrophenanthrene
SMILESC#CCc1ccccc1/C=C(C)/C(=C/C(=C)c1cc2c(c3ccccc13)C=CCC2)c1ccc2c(C3=CC=C(C(=C)/C=C\C=C/C)C3)cc(-c3ccc(-c4ccccc4)cc3)cc2c1C
InChIInChI=1S/C65H54/c1-7-9-11-21-44(3)52-34-35-55(40-52)65-43-56(51-32-30-50(31-33-51)49-22-12-10-13-23-49)42-64-47(6)57(36-37-61(64)65)62(45(4)38-53-25-15-14-24-48(53)20-8-2)39-46(5)63-41-54-26-16-17-27-58(54)59-28-18-19-29-60(59)63/h2,7,9-15,17-19,21-25,27-39,41-43H,3,5,16,20,26,40H2,1,4,6H3/b9-7-,21-11-,45-38+,62-39-
InChIKeyWTBQGLSAIWDENP-JWZCUDIFSA-N
XLogP17.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.15
LogP ≤ 517.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9-[(3Z,5E)-4-[5-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]cyclopenta-1,3-dien-1-yl]-1-methyl-7-(4-phenylphenyl)naphthalen-2-yl]-5-methyl-6-(2-prop-2-ynylphenyl)hexa-1,3,5-trien-2-yl]-1,2-dihydrophenanthrene with MolForge

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Related Compounds

ethane;10-[(1E,3Z)-2-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-3-methylphenyl]penta-1,3-dienyl]-3,4-dihydrophenanthrene;methane
CID 144915141
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ethane;ethene;N-[(1Z,3Z)-5-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]hexa-1,3,5-trienyl]-N-[(2-methylphenyl)methyl]naphthalen-2-amine;1-methyl-3-[4-[(3E)-penta-1,3-dien-3-yl]cyclopenta-1,3-dien-1-yl]-5-phenylbenzene
CID 142315651
N-[4-(3,5-diphenylphenyl)phenyl]-2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-5-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)aniline
CID 167235702
7-methyl-10-phenyl-1,2-dihydroanthracene
CID 142428670
(E)-3-[3-(7,8-dihydrophenanthren-3-yl)-5-(1H-indol-5-yl)phenyl]-1-phenyl-N-(1-phenylethenyl)but-2-en-1-imine
CID 155180515
N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-N-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-3-phenylphenyl]-1,2-dihydrophenanthren-9-amine
CID 134194377
N-[3-(1,2-dihydrophenanthren-9-yl)phenyl]-N-(3-phenanthren-9-ylphenyl)-6-phenylnaphthalen-2-amine
CID 142614464
12-cyclohexa-1,3-dien-1-yl-5-[(3Z)-hexa-1,3,5-trien-2-yl]-3-phenylbenzo[10]annulene;1-ethylcyclohexa-1,3-diene;5-[(3Z)-hexa-1,3,5-trien-2-yl]-3-phenylbenzo[10]annulene
CID 160843548
aniline;ethane;10-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-8-[(E)-2-methyl-3-(3-phenylphenyl)prop-1-enyl]-8-azatricyclo[7.3.1.02,7]trideca-1(13),2,4,6,9,11-hexaene;hydrazine;toluene
CID 145190225
9-[4-(1,2-dihydrophenanthren-9-yl)phenyl]-10-naphthalen-1-ylanthracene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(3-phenanthren-9-ylphenyl)anthracene;9-naphthalen-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 159025961

Frequently Asked Questions

What is the IUPAC name of 9-[(3Z,5E)-4-[5-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]cyclopenta-1,3-dien-1-yl]-1-methyl-7-(4-phenylphenyl)naphthalen-2-yl]-5-methyl-6-(2-prop-2-ynylphenyl)hexa-1,3,5-trien-2-yl]-1,2-dihydrophenanthrene?
The IUPAC name of 9-[(3Z,5E)-4-[5-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]cyclopenta-1,3-dien-1-yl]-1-methyl-7-(4-phenylphenyl)naphthalen-2-yl]-5-methyl-6-(2-prop-2-ynylphenyl)hexa-1,3,5-trien-2-yl]-1,2-dihydrophenanthrene (CID 144839307) is 9-[(3Z,5E)-4-[5-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]cyclopenta-1,3-dien-1-yl]-1-methyl-7-(4-phenylphenyl)naphthalen-2-yl]-5-methyl-6-(2-prop-2-ynylphenyl)hexa-1,3,5-trien-2-yl]-1,2-dihydrophenanthrene.
What is the SMILES notation for 9-[(3Z,5E)-4-[5-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]cyclopenta-1,3-dien-1-yl]-1-methyl-7-(4-phenylphenyl)naphthalen-2-yl]-5-methyl-6-(2-prop-2-ynylphenyl)hexa-1,3,5-trien-2-yl]-1,2-dihydrophenanthrene?
The canonical SMILES for 9-[(3Z,5E)-4-[5-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]cyclopenta-1,3-dien-1-yl]-1-methyl-7-(4-phenylphenyl)naphthalen-2-yl]-5-methyl-6-(2-prop-2-ynylphenyl)hexa-1,3,5-trien-2-yl]-1,2-dihydrophenanthrene is C#CCc1ccccc1/C=C(C)/C(=C/C(=C)c1cc2c(c3ccccc13)C=CCC2)c1ccc2c(C3=CC=C(C(=C)/C=C\C=C/C)C3)cc(-c3ccc(-c4ccccc4)cc3)cc2c1C.
What is the InChIKey of 9-[(3Z,5E)-4-[5-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]cyclopenta-1,3-dien-1-yl]-1-methyl-7-(4-phenylphenyl)naphthalen-2-yl]-5-methyl-6-(2-prop-2-ynylphenyl)hexa-1,3,5-trien-2-yl]-1,2-dihydrophenanthrene?
The InChIKey is WTBQGLSAIWDENP-JWZCUDIFSA-N. The full InChI is InChI=1S/C65H54/c1-7-9-11-21-44(3)52-34-35-55(40-52)65-43-56(51-32-30-50(31-33-51)49-22-12-10-13-23-49)42-64-47(6)57(36-37-61(64)65)62(45(4)38-53-25-15-14-24-48(53)20-8-2)39-46(5)63-41-54-26-16-17-27-58(54)59-28-18-19-29-60(59)63/h2,7,9-15,17-19,21-25,27-39,41-43H,3,5,16,20,26,40H2,1,4,6H3/b9-7-,21-11-,45-38+,62-39-.
What are the key properties of 9-[(3Z,5E)-4-[5-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]cyclopenta-1,3-dien-1-yl]-1-methyl-7-(4-phenylphenyl)naphthalen-2-yl]-5-methyl-6-(2-prop-2-ynylphenyl)hexa-1,3,5-trien-2-yl]-1,2-dihydrophenanthrene?
9-[(3Z,5E)-4-[5-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]cyclopenta-1,3-dien-1-yl]-1-methyl-7-(4-phenylphenyl)naphthalen-2-yl]-5-methyl-6-(2-prop-2-ynylphenyl)hexa-1,3,5-trien-2-yl]-1,2-dihydrophenanthrene has a molecular weight of 835.15 g/mol, XLogP of 17.37, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3Z,5E)-4-[5-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]cyclopenta-1,3-dien-1-yl]-1-methyl-7-(4-phenylphenyl)naphthalen-2-yl]-5-methyl-6-(2-prop-2-ynylphenyl)hexa-1,3,5-trien-2-yl]-1,2-dihydrophenanthrene is sourced from PubChem (CID 144839307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).