2,7-bis(3-phenylphenyl)benzo[c]phenanthrene

C42H28 — CID 140710635

IUPAC2,7-bis(3-phenylphenyl)benzo[c]phenanthrene
SMILESc1ccc(-c2cccc(-c3ccc4ccc5c(-c6cccc(-c7ccccc7)c6)cc6ccccc6c5c4c3)c2)cc1
InChIInChI=1S/C42H28/c1-3-11-29(12-4-1)32-16-9-18-34(25-32)35-22-21-31-23-24-39-40(28-37-15-7-8-20-38(37)42(39)41(31)27-35)36-19-10-17-33(26-36)30-13-5-2-6-14-30/h1-28H
InChIKeyBEKSFTHVVHFARJ-UHFFFAOYSA-N
MW532.69 g/mol
LogP11.81
Rot. Bonds4

About 2,7-bis(3-phenylphenyl)benzo[c]phenanthrene

2,7-bis(3-phenylphenyl)benzo[c]phenanthrene (PubChem CID 140710635) has the molecular formula C42H28 and a molecular weight of 532.69 g/mol. Its IUPAC name is 2,7-bis(3-phenylphenyl)benzo[c]phenanthrene.

Molecular Properties

Compound Name2,7-bis(3-phenylphenyl)benzo[c]phenanthrene
PubChem CID140710635
Molecular FormulaC42H28
Molecular Weight532.69 g/mol
Exact Mass532.22
IUPAC Name2,7-bis(3-phenylphenyl)benzo[c]phenanthrene
SMILESc1ccc(-c2cccc(-c3ccc4ccc5c(-c6cccc(-c7ccccc7)c6)cc6ccccc6c5c4c3)c2)cc1
InChIInChI=1S/C42H28/c1-3-11-29(12-4-1)32-16-9-18-34(25-32)35-22-21-31-23-24-39-40(28-37-15-7-8-20-38(37)42(39)41(31)27-35)36-19-10-17-33(26-36)30-13-5-2-6-14-30/h1-28H
InChIKeyBEKSFTHVVHFARJ-UHFFFAOYSA-N
XLogP11.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.69
LogP ≤ 511.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,7-bis(3-phenylphenyl)benzo[c]phenanthrene?
The IUPAC name of 2,7-bis(3-phenylphenyl)benzo[c]phenanthrene (CID 140710635) is 2,7-bis(3-phenylphenyl)benzo[c]phenanthrene.
What is the SMILES notation for 2,7-bis(3-phenylphenyl)benzo[c]phenanthrene?
The canonical SMILES for 2,7-bis(3-phenylphenyl)benzo[c]phenanthrene is c1ccc(-c2cccc(-c3ccc4ccc5c(-c6cccc(-c7ccccc7)c6)cc6ccccc6c5c4c3)c2)cc1.
What is the InChIKey of 2,7-bis(3-phenylphenyl)benzo[c]phenanthrene?
The InChIKey is BEKSFTHVVHFARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28/c1-3-11-29(12-4-1)32-16-9-18-34(25-32)35-22-21-31-23-24-39-40(28-37-15-7-8-20-38(37)42(39)41(31)27-35)36-19-10-17-33(26-36)30-13-5-2-6-14-30/h1-28H.
What are the key properties of 2,7-bis(3-phenylphenyl)benzo[c]phenanthrene?
2,7-bis(3-phenylphenyl)benzo[c]phenanthrene has a molecular weight of 532.69 g/mol, XLogP of 11.81, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(3-phenylphenyl)benzo[c]phenanthrene is sourced from PubChem (CID 140710635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).