9-phenanthren-9-yl-10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracene

C50H32 — CID 123698670

IUPAC9-phenanthren-9-yl-10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracene
SMILESc1ccc(-c2ccccc2-c2ccc3ccc(-c4c5ccccc5c(-c5cc6ccccc6c6ccccc56)c5ccccc45)cc3c2)cc1
InChIInChI=1S/C50H32/c1-2-14-34(15-3-1)39-17-6-7-18-40(39)36-28-26-33-27-29-37(31-38(33)30-36)49-44-22-10-12-24-46(44)50(47-25-13-11-23-45(47)49)48-32-35-16-4-5-19-41(35)42-20-8-9-21-43(42)48/h1-32H
InChIKeyBFYBDYNCENJBDA-UHFFFAOYSA-N
MW632.81 g/mol
LogP14.12
Rot. Bonds4

About 9-phenanthren-9-yl-10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracene

9-phenanthren-9-yl-10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracene (PubChem CID 123698670) has the molecular formula C50H32 and a molecular weight of 632.81 g/mol. Its IUPAC name is 9-phenanthren-9-yl-10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracene.

Molecular Properties

Compound Name9-phenanthren-9-yl-10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracene
PubChem CID123698670
Molecular FormulaC50H32
Molecular Weight632.81 g/mol
Exact Mass632.25
IUPAC Name9-phenanthren-9-yl-10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracene
SMILESc1ccc(-c2ccccc2-c2ccc3ccc(-c4c5ccccc5c(-c5cc6ccccc6c6ccccc56)c5ccccc45)cc3c2)cc1
InChIInChI=1S/C50H32/c1-2-14-34(15-3-1)39-17-6-7-18-40(39)36-28-26-33-27-29-37(31-38(33)30-36)49-44-22-10-12-24-46(44)50(47-25-13-11-23-45(47)49)48-32-35-16-4-5-19-41(35)42-20-8-9-21-43(42)48/h1-32H
InChIKeyBFYBDYNCENJBDA-UHFFFAOYSA-N
XLogP14.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.81
LogP ≤ 514.12
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'}

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Related Compounds

9-(2-phenylphenyl)-10-[7-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene
CID 153438356
9-(7-naphthalen-1-ylnaphthalen-2-yl)-10-phenanthren-9-ylanthracene
CID 123428518
2-[10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene
CID 123785417
9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene
CID 58050569
2-naphthalen-2-yl-10-phenanthren-9-yl-9-(2-phenylphenyl)anthracene
CID 58323367
9-(4-naphthalen-2-ylphenyl)-10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracene
CID 123334632
9-(2-naphthalen-2-ylphenyl)-10-phenanthren-9-yl-2-phenylanthracene
CID 58323397
9-naphthalen-1-yl-10-(6-naphthalen-1-ylnaphthalen-2-yl)anthracene;9-naphthalen-2-yl-10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(6-phenanthren-9-ylnaphthalen-2-yl)anthracene;9-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-[6-[2-(4-phenylphenyl)phenyl]naphthalen-2-yl]anthracene
CID 158259921
9-naphthalen-2-yl-10-(10-naphthalen-2-ylanthracen-9-yl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-phenylanthracene;9-phenanthren-9-yl-10-(10-phenanthren-9-ylanthracen-9-yl)anthracene;9-phenyl-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 159797606
9-(3,5-diphenylphenyl)-10-[7-(4-phenanthren-9-ylphenyl)naphthalen-2-yl]anthracene
CID 123644729
9-(3-phenanthren-9-ylphenyl)-10-(2-phenylphenyl)anthracene
CID 58151317
9-phenanthren-9-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-(4-phenylnaphthalen-1-yl)-10-(5-phenylnaphthalen-2-yl)anthracene;9-(4-phenylnaphthalen-1-yl)-10-(6-phenylnaphthalen-2-yl)anthracene;9-(4-phenylnaphthalen-1-yl)-10-(7-phenylnaphthalen-2-yl)anthracene;9-(5-phenylnaphthalen-2-yl)-10-(4-phenylphenyl)anthracene;9-(7-phenylnaphthalen-2-yl)-10-(4-phenylphenyl)anthracene
CID 163889905

Frequently Asked Questions

What is the IUPAC name of 9-phenanthren-9-yl-10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracene?
The IUPAC name of 9-phenanthren-9-yl-10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracene (CID 123698670) is 9-phenanthren-9-yl-10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracene.
What is the SMILES notation for 9-phenanthren-9-yl-10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracene?
The canonical SMILES for 9-phenanthren-9-yl-10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracene is c1ccc(-c2ccccc2-c2ccc3ccc(-c4c5ccccc5c(-c5cc6ccccc6c6ccccc56)c5ccccc45)cc3c2)cc1.
What is the InChIKey of 9-phenanthren-9-yl-10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracene?
The InChIKey is BFYBDYNCENJBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32/c1-2-14-34(15-3-1)39-17-6-7-18-40(39)36-28-26-33-27-29-37(31-38(33)30-36)49-44-22-10-12-24-46(44)50(47-25-13-11-23-45(47)49)48-32-35-16-4-5-19-41(35)42-20-8-9-21-43(42)48/h1-32H.
What are the key properties of 9-phenanthren-9-yl-10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracene?
9-phenanthren-9-yl-10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracene has a molecular weight of 632.81 g/mol, XLogP of 14.12, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenanthren-9-yl-10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracene is sourced from PubChem (CID 123698670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).