15-(4-cyclohexa-1,5-dien-1-ylphenyl)-5,5,15-tris(4-phenylphenyl)heptacyclo[14.12.0.02,14.04,12.06,11.019,28.021,26]octacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,25,27-tridecaene

C76H52 — CID 143607830

IUPAC15-(4-cyclohexa-1,5-dien-1-ylphenyl)-5,5,15-tris(4-phenylphenyl)heptacyclo[14.12.0.02,14.04,12.06,11.019,28.021,26]octacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,25,27-tridecaene
SMILESC1=CC(c2ccc(C3(c4ccc(-c5ccccc5)cc4)c4cc5c(cc4-c4c3ccc3cc6ccccc6cc43)C(c3ccc(-c4ccccc4)cc3)(c3ccc(-c4ccccc4)cc3)c3ccccc3-5)cc2)=CCC1
InChIInChI=1S/C76H52/c1-5-17-51(18-6-1)55-29-38-62(39-30-55)75(63-40-31-56(32-41-63)52-19-7-2-8-20-52)70-28-16-15-27-66(70)68-49-73-69(50-72(68)75)74-67-48-60-26-14-13-25-59(60)47-61(67)37-46-71(74)76(73,64-42-33-57(34-43-64)53-21-9-3-10-22-53)65-44-35-58(36-45-65)54-23-11-4-12-24-54/h1-3,5-11,13-50H,4,12H2
InChIKeyGJLGOQVWWLZVOO-UHFFFAOYSA-N
MW965.25 g/mol
LogP19.45
Rot. Bonds8

About 15-(4-cyclohexa-1,5-dien-1-ylphenyl)-5,5,15-tris(4-phenylphenyl)heptacyclo[14.12.0.02,14.04,12.06,11.019,28.021,26]octacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,25,27-tridecaene

15-(4-cyclohexa-1,5-dien-1-ylphenyl)-5,5,15-tris(4-phenylphenyl)heptacyclo[14.12.0.02,14.04,12.06,11.019,28.021,26]octacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,25,27-tridecaene (PubChem CID 143607830) has the molecular formula C76H52 and a molecular weight of 965.25 g/mol. Its IUPAC name is 15-(4-cyclohexa-1,5-dien-1-ylphenyl)-5,5,15-tris(4-phenylphenyl)heptacyclo[14.12.0.02,14.04,12.06,11.019,28.021,26]octacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,25,27-tridecaene.

Molecular Properties

Compound Name15-(4-cyclohexa-1,5-dien-1-ylphenyl)-5,5,15-tris(4-phenylphenyl)heptacyclo[14.12.0.02,14.04,12.06,11.019,28.021,26]octacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,25,27-tridecaene
PubChem CID143607830
Molecular FormulaC76H52
Molecular Weight965.25 g/mol
Exact Mass964.41
IUPAC Name15-(4-cyclohexa-1,5-dien-1-ylphenyl)-5,5,15-tris(4-phenylphenyl)heptacyclo[14.12.0.02,14.04,12.06,11.019,28.021,26]octacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,25,27-tridecaene
SMILESC1=CC(c2ccc(C3(c4ccc(-c5ccccc5)cc4)c4cc5c(cc4-c4c3ccc3cc6ccccc6cc43)C(c3ccc(-c4ccccc4)cc3)(c3ccc(-c4ccccc4)cc3)c3ccccc3-5)cc2)=CCC1
InChIInChI=1S/C76H52/c1-5-17-51(18-6-1)55-29-38-62(39-30-55)75(63-40-31-56(32-41-63)52-19-7-2-8-20-52)70-28-16-15-27-66(70)68-49-73-69(50-72(68)75)74-67-48-60-26-14-13-25-59(60)47-61(67)37-46-71(74)76(73,64-42-33-57(34-43-64)53-21-9-3-10-22-53)65-44-35-58(36-45-65)54-23-11-4-12-24-54/h1-3,5-11,13-50H,4,12H2
InChIKeyGJLGOQVWWLZVOO-UHFFFAOYSA-N
XLogP19.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500965.25
LogP ≤ 519.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 15-(4-cyclohexa-1,5-dien-1-ylphenyl)-5,5,15-tris(4-phenylphenyl)heptacyclo[14.12.0.02,14.04,12.06,11.019,28.021,26]octacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,25,27-tridecaene with MolForge

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Related Compounds

N-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-(4-phenylphenyl)-3-[9-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]fluoren-9-yl]aniline
CID 145084846
2-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-4-(3,5-diphenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 71108881
9-[4-[4-[9-[4-(4-anthracen-9-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]anthracene;9-[9,9-bis(4-anthracen-9-ylphenyl)-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-10-phenylanthracene;methane
CID 159419556
17'-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
CID 140961837
7,7-diphenyl-5-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]benzo[c]fluorene
CID 158070567
2-cyclohexa-1,5-dien-1-yl-6-(9,9-dimethyl-6'-naphthalen-1-ylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenylpyridine
CID 155475729
3,9,9-triphenylfluorene
CID 140844354
4-cyclohexa-1,5-dien-1-yl-N-[4-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 146247654
2-cyclohexa-1,5-dien-1-yl-4-[11-(9,9-diphenylfluoren-2-yl)triphenylen-1-yl]-6-phenylpyrimidine
CID 145452827
5-(10-naphthalen-2-ylanthracen-9-yl)-7,7-diphenylbenzo[c]fluorene
CID 166034549
2-cyclohexa-1,5-dien-1-yl-4-(7-methyl-9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine
CID 154618868
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-10-phenylindeno[1,2-b]fluoren-2-amine
CID 142541184

Frequently Asked Questions

What is the IUPAC name of 15-(4-cyclohexa-1,5-dien-1-ylphenyl)-5,5,15-tris(4-phenylphenyl)heptacyclo[14.12.0.02,14.04,12.06,11.019,28.021,26]octacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,25,27-tridecaene?
The IUPAC name of 15-(4-cyclohexa-1,5-dien-1-ylphenyl)-5,5,15-tris(4-phenylphenyl)heptacyclo[14.12.0.02,14.04,12.06,11.019,28.021,26]octacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,25,27-tridecaene (CID 143607830) is 15-(4-cyclohexa-1,5-dien-1-ylphenyl)-5,5,15-tris(4-phenylphenyl)heptacyclo[14.12.0.02,14.04,12.06,11.019,28.021,26]octacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,25,27-tridecaene.
What is the SMILES notation for 15-(4-cyclohexa-1,5-dien-1-ylphenyl)-5,5,15-tris(4-phenylphenyl)heptacyclo[14.12.0.02,14.04,12.06,11.019,28.021,26]octacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,25,27-tridecaene?
The canonical SMILES for 15-(4-cyclohexa-1,5-dien-1-ylphenyl)-5,5,15-tris(4-phenylphenyl)heptacyclo[14.12.0.02,14.04,12.06,11.019,28.021,26]octacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,25,27-tridecaene is C1=CC(c2ccc(C3(c4ccc(-c5ccccc5)cc4)c4cc5c(cc4-c4c3ccc3cc6ccccc6cc43)C(c3ccc(-c4ccccc4)cc3)(c3ccc(-c4ccccc4)cc3)c3ccccc3-5)cc2)=CCC1.
What is the InChIKey of 15-(4-cyclohexa-1,5-dien-1-ylphenyl)-5,5,15-tris(4-phenylphenyl)heptacyclo[14.12.0.02,14.04,12.06,11.019,28.021,26]octacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,25,27-tridecaene?
The InChIKey is GJLGOQVWWLZVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H52/c1-5-17-51(18-6-1)55-29-38-62(39-30-55)75(63-40-31-56(32-41-63)52-19-7-2-8-20-52)70-28-16-15-27-66(70)68-49-73-69(50-72(68)75)74-67-48-60-26-14-13-25-59(60)47-61(67)37-46-71(74)76(73,64-42-33-57(34-43-64)53-21-9-3-10-22-53)65-44-35-58(36-45-65)54-23-11-4-12-24-54/h1-3,5-11,13-50H,4,12H2.
What are the key properties of 15-(4-cyclohexa-1,5-dien-1-ylphenyl)-5,5,15-tris(4-phenylphenyl)heptacyclo[14.12.0.02,14.04,12.06,11.019,28.021,26]octacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,25,27-tridecaene?
15-(4-cyclohexa-1,5-dien-1-ylphenyl)-5,5,15-tris(4-phenylphenyl)heptacyclo[14.12.0.02,14.04,12.06,11.019,28.021,26]octacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,25,27-tridecaene has a molecular weight of 965.25 g/mol, XLogP of 19.45, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(4-cyclohexa-1,5-dien-1-ylphenyl)-5,5,15-tris(4-phenylphenyl)heptacyclo[14.12.0.02,14.04,12.06,11.019,28.021,26]octacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,25,27-tridecaene is sourced from PubChem (CID 143607830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).