8-benzyl-5-phenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(27),2,4,6,8,10,12,14,17(26),18,20,22,24-tridecaene

C41H28 — CID 91215995

IUPAC8-benzyl-5-phenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(27),2,4,6,8,10,12,14,17(26),18,20,22,24-tridecaene
SMILESC1=CC2c3ccc4ccccc4c3C=C3c4cc5c(-c6ccccc6)ccc(Cc6ccccc6)c5cc4C(=C1)C32
InChIInChI=1S/C41H28/c1-3-10-26(11-4-1)22-29-19-20-31(27-12-5-2-6-13-27)37-24-39-38(23-35(29)37)34-17-9-16-33-32-21-18-28-14-7-8-15-30(28)36(32)25-40(39)41(33)34/h1-21,23-25,33,41H,22H2
InChIKeyWEUXSMOVCSZGMN-UHFFFAOYSA-N
MW520.68 g/mol
LogP10.47
Rot. Bonds3

About 8-benzyl-5-phenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(27),2,4,6,8,10,12,14,17(26),18,20,22,24-tridecaene

8-benzyl-5-phenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(27),2,4,6,8,10,12,14,17(26),18,20,22,24-tridecaene (PubChem CID 91215995) has the molecular formula C41H28 and a molecular weight of 520.68 g/mol. Its IUPAC name is 8-benzyl-5-phenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(27),2,4,6,8,10,12,14,17(26),18,20,22,24-tridecaene.

Molecular Properties

Compound Name8-benzyl-5-phenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(27),2,4,6,8,10,12,14,17(26),18,20,22,24-tridecaene
PubChem CID91215995
Molecular FormulaC41H28
Molecular Weight520.68 g/mol
Exact Mass520.22
IUPAC Name8-benzyl-5-phenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(27),2,4,6,8,10,12,14,17(26),18,20,22,24-tridecaene
SMILESC1=CC2c3ccc4ccccc4c3C=C3c4cc5c(-c6ccccc6)ccc(Cc6ccccc6)c5cc4C(=C1)C32
InChIInChI=1S/C41H28/c1-3-10-26(11-4-1)22-29-19-20-31(27-12-5-2-6-13-27)37-24-39-38(23-35(29)37)34-17-9-16-33-32-21-18-28-14-7-8-15-30(28)36(32)25-40(39)41(33)34/h1-21,23-25,33,41H,22H2
InChIKeyWEUXSMOVCSZGMN-UHFFFAOYSA-N
XLogP10.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.68
LogP ≤ 510.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 8-benzyl-5-phenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(27),2,4,6,8,10,12,14,17(26),18,20,22,24-tridecaene with MolForge

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Related Compounds

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CID 123765532
2-[4-(4a,8a-dihydronaphthalen-1-yl)naphthalen-2-yl]-4-(6-phenylnaphthalen-2-yl)-6-(8-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 176735087
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CID 160808961
1-benzylnaphthalene;N-methylmethanamine
CID 70612820
1,5-dibenzylnaphthalene;2,6-dibenzylnaphthalene
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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-5-phenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(27),2,4,6,8,10,12,14,17(26),18,20,22,24-tridecaene?
The IUPAC name of 8-benzyl-5-phenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(27),2,4,6,8,10,12,14,17(26),18,20,22,24-tridecaene (CID 91215995) is 8-benzyl-5-phenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(27),2,4,6,8,10,12,14,17(26),18,20,22,24-tridecaene.
What is the SMILES notation for 8-benzyl-5-phenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(27),2,4,6,8,10,12,14,17(26),18,20,22,24-tridecaene?
The canonical SMILES for 8-benzyl-5-phenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(27),2,4,6,8,10,12,14,17(26),18,20,22,24-tridecaene is C1=CC2c3ccc4ccccc4c3C=C3c4cc5c(-c6ccccc6)ccc(Cc6ccccc6)c5cc4C(=C1)C32.
What is the InChIKey of 8-benzyl-5-phenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(27),2,4,6,8,10,12,14,17(26),18,20,22,24-tridecaene?
The InChIKey is WEUXSMOVCSZGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28/c1-3-10-26(11-4-1)22-29-19-20-31(27-12-5-2-6-13-27)37-24-39-38(23-35(29)37)34-17-9-16-33-32-21-18-28-14-7-8-15-30(28)36(32)25-40(39)41(33)34/h1-21,23-25,33,41H,22H2.
What are the key properties of 8-benzyl-5-phenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(27),2,4,6,8,10,12,14,17(26),18,20,22,24-tridecaene?
8-benzyl-5-phenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(27),2,4,6,8,10,12,14,17(26),18,20,22,24-tridecaene has a molecular weight of 520.68 g/mol, XLogP of 10.47, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-5-phenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(27),2,4,6,8,10,12,14,17(26),18,20,22,24-tridecaene is sourced from PubChem (CID 91215995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).