15-(3,5-diphenylphenyl)-14,17-bis[4-(3,5-diphenylphenyl)phenyl]-3,4,5,6-tetraphenylhexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13(18),14,16,19(23),20-dodecaene

C114H74 — CID 123758696

IUPAC15-(3,5-diphenylphenyl)-14,17-bis[4-(3,5-diphenylphenyl)phenyl]-3,4,5,6-tetraphenylhexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13(18),14,16,19(23),20-dodecaene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4cc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c(-c5ccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)cc5)c5c6cccc7c8c(-c9ccccc9)c(-c9ccccc9)c(-c9ccccc9)c(-c9ccccc9)c8c8cccc(c45)c8c67)cc3)c2)cc1
InChIInChI=1S/C114H74/c1-11-33-75(34-12-1)89-65-90(76-35-13-2-14-36-76)68-93(67-89)81-57-61-83(62-58-81)102-74-103(97-72-95(79-41-19-5-20-42-79)71-96(73-97)80-43-21-6-22-44-80)104(88-63-59-82(60-64-88)94-69-91(77-37-15-3-16-38-77)66-92(70-94)78-39-17-4-18-40-78)112-99-54-32-56-101-110(99)109-98(111(102)112)53-31-55-100(109)113-107(86-49-27-9-28-50-86)105(84-45-23-7-24-46-84)106(85-47-25-8-26-48-85)108(114(101)113)87-51-29-10-30-52-87/h1-74H
InChIKeyVNUJTAZXSYGZTH-UHFFFAOYSA-N
MW1443.85 g/mol
LogP31.90
Rot. Bonds15

About 15-(3,5-diphenylphenyl)-14,17-bis[4-(3,5-diphenylphenyl)phenyl]-3,4,5,6-tetraphenylhexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13(18),14,16,19(23),20-dodecaene

15-(3,5-diphenylphenyl)-14,17-bis[4-(3,5-diphenylphenyl)phenyl]-3,4,5,6-tetraphenylhexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13(18),14,16,19(23),20-dodecaene (PubChem CID 123758696) has the molecular formula C114H74 and a molecular weight of 1443.85 g/mol. Its IUPAC name is 15-(3,5-diphenylphenyl)-14,17-bis[4-(3,5-diphenylphenyl)phenyl]-3,4,5,6-tetraphenylhexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13(18),14,16,19(23),20-dodecaene.

Molecular Properties

Compound Name15-(3,5-diphenylphenyl)-14,17-bis[4-(3,5-diphenylphenyl)phenyl]-3,4,5,6-tetraphenylhexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13(18),14,16,19(23),20-dodecaene
PubChem CID123758696
Molecular FormulaC114H74
Molecular Weight1443.85 g/mol
Exact Mass1442.58
IUPAC Name15-(3,5-diphenylphenyl)-14,17-bis[4-(3,5-diphenylphenyl)phenyl]-3,4,5,6-tetraphenylhexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13(18),14,16,19(23),20-dodecaene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4cc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c(-c5ccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)cc5)c5c6cccc7c8c(-c9ccccc9)c(-c9ccccc9)c(-c9ccccc9)c(-c9ccccc9)c8c8cccc(c45)c8c67)cc3)c2)cc1
InChIInChI=1S/C114H74/c1-11-33-75(34-12-1)89-65-90(76-35-13-2-14-36-76)68-93(67-89)81-57-61-83(62-58-81)102-74-103(97-72-95(79-41-19-5-20-42-79)71-96(73-97)80-43-21-6-22-44-80)104(88-63-59-82(60-64-88)94-69-91(77-37-15-3-16-38-77)66-92(70-94)78-39-17-4-18-40-78)112-99-54-32-56-101-110(99)109-98(111(102)112)53-31-55-100(109)113-107(86-49-27-9-28-50-86)105(84-45-23-7-24-46-84)106(85-47-25-8-26-48-85)108(114(101)113)87-51-29-10-30-52-87/h1-74H
InChIKeyVNUJTAZXSYGZTH-UHFFFAOYSA-N
XLogP31.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001443.85
LogP ≤ 531.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 15-(3,5-diphenylphenyl)-14,17-bis[4-(3,5-diphenylphenyl)phenyl]-3,4,5,6-tetraphenylhexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13(18),14,16,19(23),20-dodecaene with MolForge

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Related Compounds

2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-[4-(3,6,14,15,16,17-hexakis-phenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaenyl)phenyl]-1,3,5-triazine
CID 118065856
2-[3,5-bis(1,4-diphenyltriphenylen-2-yl)phenyl]-1,4-diphenyltriphenylene
CID 123450993
1,2,4-triphenyltriphenylene
CID 58820754
9-[4-[3-carbazol-9-yl-5-[1-[4-(3,6,14,15,16,17-hexakis-phenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaenyl)phenyl]triazol-4-yl]phenyl]phenyl]carbazole
CID 154009502
N,N-diphenyl-4-(3,4,7-triphenyltriphenylen-1-yl)aniline
CID 59308653
8-(3,5-diphenylphenyl)-19-phenylhexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14(24),15,17,19,21-dodecaene
CID 59642845
3,6,14,16-tetrakis(3-bromophenyl)-4-phenylhexacyclo[10.9.2.02,7.08,23.013,17.018,22]tricosa-1(22),2,4,6,8(23),9,11,13,16,18,20-undecaen-15-one
CID 118065875
benzene;1,2,3,4,5,6-hexakis-phenylbenzene;1,3,6,8-tetraphenylpyrene
CID 165101849
4-(4-methylphenyl)-3,5,6-triphenylhexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaene
CID 123196771
10,21-dibromo-3,6-diphenyl-4-[5-phenyl-2-(4-phenylphenyl)phenyl]hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaene
CID 155342201
9-(4-phenylphenyl)-10-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 155648463
3-[3-(2,3,4,5-tetraphenylphenyl)phenyl]fluoranthene
CID 162426849

Frequently Asked Questions

What is the IUPAC name of 15-(3,5-diphenylphenyl)-14,17-bis[4-(3,5-diphenylphenyl)phenyl]-3,4,5,6-tetraphenylhexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13(18),14,16,19(23),20-dodecaene?
The IUPAC name of 15-(3,5-diphenylphenyl)-14,17-bis[4-(3,5-diphenylphenyl)phenyl]-3,4,5,6-tetraphenylhexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13(18),14,16,19(23),20-dodecaene (CID 123758696) is 15-(3,5-diphenylphenyl)-14,17-bis[4-(3,5-diphenylphenyl)phenyl]-3,4,5,6-tetraphenylhexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13(18),14,16,19(23),20-dodecaene.
What is the SMILES notation for 15-(3,5-diphenylphenyl)-14,17-bis[4-(3,5-diphenylphenyl)phenyl]-3,4,5,6-tetraphenylhexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13(18),14,16,19(23),20-dodecaene?
The canonical SMILES for 15-(3,5-diphenylphenyl)-14,17-bis[4-(3,5-diphenylphenyl)phenyl]-3,4,5,6-tetraphenylhexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13(18),14,16,19(23),20-dodecaene is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4cc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c(-c5ccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)cc5)c5c6cccc7c8c(-c9ccccc9)c(-c9ccccc9)c(-c9ccccc9)c(-c9ccccc9)c8c8cccc(c45)c8c67)cc3)c2)cc1.
What is the InChIKey of 15-(3,5-diphenylphenyl)-14,17-bis[4-(3,5-diphenylphenyl)phenyl]-3,4,5,6-tetraphenylhexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13(18),14,16,19(23),20-dodecaene?
The InChIKey is VNUJTAZXSYGZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C114H74/c1-11-33-75(34-12-1)89-65-90(76-35-13-2-14-36-76)68-93(67-89)81-57-61-83(62-58-81)102-74-103(97-72-95(79-41-19-5-20-42-79)71-96(73-97)80-43-21-6-22-44-80)104(88-63-59-82(60-64-88)94-69-91(77-37-15-3-16-38-77)66-92(70-94)78-39-17-4-18-40-78)112-99-54-32-56-101-110(99)109-98(111(102)112)53-31-55-100(109)113-107(86-49-27-9-28-50-86)105(84-45-23-7-24-46-84)106(85-47-25-8-26-48-85)108(114(101)113)87-51-29-10-30-52-87/h1-74H.
What are the key properties of 15-(3,5-diphenylphenyl)-14,17-bis[4-(3,5-diphenylphenyl)phenyl]-3,4,5,6-tetraphenylhexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13(18),14,16,19(23),20-dodecaene?
15-(3,5-diphenylphenyl)-14,17-bis[4-(3,5-diphenylphenyl)phenyl]-3,4,5,6-tetraphenylhexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13(18),14,16,19(23),20-dodecaene has a molecular weight of 1443.85 g/mol, XLogP of 31.90, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(3,5-diphenylphenyl)-14,17-bis[4-(3,5-diphenylphenyl)phenyl]-3,4,5,6-tetraphenylhexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13(18),14,16,19(23),20-dodecaene is sourced from PubChem (CID 123758696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).