5,12-dibenzyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene

C30H28 — CID 101191154

IUPAC5,12-dibenzyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
SMILESc1ccc(Cc2cc3ccc2CCc2ccc(cc2Cc2ccccc2)CC3)cc1
InChIInChI=1S/C30H28/c1-3-7-23(8-4-1)19-29-21-25-11-12-26-14-16-28(18-17-27(29)15-13-25)30(22-26)20-24-9-5-2-6-10-24/h1-10,13-16,21-22H,11-12,17-20H2
InChIKeyLCMXLFMPRDCOHF-UHFFFAOYSA-N
MW388.55 g/mol
LogP6.75
Rot. Bonds4

About 5,12-dibenzyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene

5,12-dibenzyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene (PubChem CID 101191154) has the molecular formula C30H28 and a molecular weight of 388.55 g/mol. Its IUPAC name is 5,12-dibenzyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene.

Molecular Properties

Compound Name5,12-dibenzyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
PubChem CID101191154
Molecular FormulaC30H28
Molecular Weight388.55 g/mol
Exact Mass388.22
IUPAC Name5,12-dibenzyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
SMILESc1ccc(Cc2cc3ccc2CCc2ccc(cc2Cc2ccccc2)CC3)cc1
InChIInChI=1S/C30H28/c1-3-7-23(8-4-1)19-29-21-25-11-12-26-14-16-28(18-17-27(29)15-13-25)30(22-26)20-24-9-5-2-6-10-24/h1-10,13-16,21-22H,11-12,17-20H2
InChIKeyLCMXLFMPRDCOHF-UHFFFAOYSA-N
XLogP6.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.55
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-(bromomethyl)tetracyclo[14.2.2.24,7.210,13]tetracosa-1(19),4,6,10(22),11,13(21),16(20),17,23-nonaene
CID 15184281
5-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
CID 101072017
2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)acetonitrile
CID 170886247
5-benzyl-2,3-dihydro-1H-indene
CID 142307005
2-amino-3-(2-bicyclo[2.2.2]octa-1,3,5-trienyl)propanoic acid
CID 164530915
phenyl(113C)methylbenzene
CID 11194569
N,N-dimethyl-3-(12-tricyclo[9.2.2.14,8]hexadeca-1(13),4(16),5,7,11,14-hexaenyl)propan-1-amine
CID 170865439
1,4-dibenzyl-2,5-dimethylbenzene
CID 22920047
3-phenyl-1-[12-(3-phenylprop-2-ynyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]prop-2-yn-1-one
CID 11419566
6,8-dibenzyl-1,2,3,4-tetrahydroquinoline
CID 142306850
methyl-[11-[methyl(diphenyl)phosphaniumyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-diphenylphosphanium
CID 134851634
benzylbenzene;methoxymethane
CID 161110966

Frequently Asked Questions

What is the IUPAC name of 5,12-dibenzyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene?
The IUPAC name of 5,12-dibenzyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene (CID 101191154) is 5,12-dibenzyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene.
What is the SMILES notation for 5,12-dibenzyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene?
The canonical SMILES for 5,12-dibenzyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene is c1ccc(Cc2cc3ccc2CCc2ccc(cc2Cc2ccccc2)CC3)cc1.
What is the InChIKey of 5,12-dibenzyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene?
The InChIKey is LCMXLFMPRDCOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28/c1-3-7-23(8-4-1)19-29-21-25-11-12-26-14-16-28(18-17-27(29)15-13-25)30(22-26)20-24-9-5-2-6-10-24/h1-10,13-16,21-22H,11-12,17-20H2.
What are the key properties of 5,12-dibenzyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene?
5,12-dibenzyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene has a molecular weight of 388.55 g/mol, XLogP of 6.75, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-dibenzyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene is sourced from PubChem (CID 101191154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).