9-phenanthren-3-yl-10-[4-(2-phenylphenyl)naphthalen-1-yl]anthracene

C50H32 — CID 58194536

IUPAC9-phenanthren-3-yl-10-[4-(2-phenylphenyl)naphthalen-1-yl]anthracene
SMILESc1ccc(-c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5ccc6ccccc6c5c4)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C50H32/c1-2-14-33(15-3-1)37-17-6-7-19-39(37)42-30-31-47(41-21-9-8-20-40(41)42)50-45-24-12-10-22-43(45)49(44-23-11-13-25-46(44)50)36-29-28-35-27-26-34-16-4-5-18-38(34)48(35)32-36/h1-32H
InChIKeySSMNUTWLEZVBOU-UHFFFAOYSA-N
MW632.81 g/mol
LogP14.12
Rot. Bonds4

About 9-phenanthren-3-yl-10-[4-(2-phenylphenyl)naphthalen-1-yl]anthracene

9-phenanthren-3-yl-10-[4-(2-phenylphenyl)naphthalen-1-yl]anthracene (PubChem CID 58194536) has the molecular formula C50H32 and a molecular weight of 632.81 g/mol. Its IUPAC name is 9-phenanthren-3-yl-10-[4-(2-phenylphenyl)naphthalen-1-yl]anthracene.

Molecular Properties

Compound Name9-phenanthren-3-yl-10-[4-(2-phenylphenyl)naphthalen-1-yl]anthracene
PubChem CID58194536
Molecular FormulaC50H32
Molecular Weight632.81 g/mol
Exact Mass632.25
IUPAC Name9-phenanthren-3-yl-10-[4-(2-phenylphenyl)naphthalen-1-yl]anthracene
SMILESc1ccc(-c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5ccc6ccccc6c5c4)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C50H32/c1-2-14-33(15-3-1)37-17-6-7-19-39(37)42-30-31-47(41-21-9-8-20-40(41)42)50-45-24-12-10-22-43(45)49(44-23-11-13-25-46(44)50)36-29-28-35-27-26-34-16-4-5-18-38(34)48(35)32-36/h1-32H
InChIKeySSMNUTWLEZVBOU-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

3-phenyl-6-[10-(2-phenylphenyl)anthracen-9-yl]phenanthrene
CID 177264858
9-(3-methylphenyl)-10-[8-(2-phenylphenyl)naphthalen-2-yl]anthracene
CID 144837207
9-naphthalen-1-yl-10-phenanthren-3-yl-2-phenylanthracene
CID 58194333
9-phenyl-10-[7-phenyl-8-[4-(2-phenylphenyl)phenyl]naphthalen-2-yl]anthracene
CID 144837407
9-[5,8-bis(2-phenylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837329
15,26-bis[4-(2-phenylphenyl)phenyl]hexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;15,26-dinaphthalen-1-ylhexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;15,26-dinaphthalen-2-ylhexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene
CID 162189667
10-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene
CID 58323579
9-naphthalen-2-yl-10-(4-naphthalen-1-yl-3-phenylphenyl)anthracene
CID 58856517
11-[10-(2,5-diphenylphenyl)anthracen-9-yl]benzo[a]anthracene
CID 123226624
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-1-yl-10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-(4-naphthalen-2-ylnaphthalen-1-yl)-10-phenylanthracene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)-2-(2-phenylphenyl)anthracene;9-naphthalen-1-yl-10-[6-[3-(3-phenylphenyl)phenyl]naphthalen-2-yl]anthracene;9-phenyl-10-[4-(3-phenylphenyl)naphthalen-1-yl]anthracene
CID 160566429
9-(2-naphthalen-1-ylphenyl)-10-[2-(4-phenylphenyl)phenyl]anthracene;9-(3-naphthalen-1-ylphenyl)-10-[2-(4-phenylphenyl)phenyl]anthracene;9-(4-naphthalen-1-ylphenyl)-10-[2-(4-phenylphenyl)phenyl]anthracene;9-(4-phenylphenyl)-10-[2-(4-phenylphenyl)phenyl]anthracene
CID 158722566

Frequently Asked Questions

What is the IUPAC name of 9-phenanthren-3-yl-10-[4-(2-phenylphenyl)naphthalen-1-yl]anthracene?
The IUPAC name of 9-phenanthren-3-yl-10-[4-(2-phenylphenyl)naphthalen-1-yl]anthracene (CID 58194536) is 9-phenanthren-3-yl-10-[4-(2-phenylphenyl)naphthalen-1-yl]anthracene.
What is the SMILES notation for 9-phenanthren-3-yl-10-[4-(2-phenylphenyl)naphthalen-1-yl]anthracene?
The canonical SMILES for 9-phenanthren-3-yl-10-[4-(2-phenylphenyl)naphthalen-1-yl]anthracene is c1ccc(-c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5ccc6ccccc6c5c4)c4ccccc34)c3ccccc23)cc1.
What is the InChIKey of 9-phenanthren-3-yl-10-[4-(2-phenylphenyl)naphthalen-1-yl]anthracene?
The InChIKey is SSMNUTWLEZVBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32/c1-2-14-33(15-3-1)37-17-6-7-19-39(37)42-30-31-47(41-21-9-8-20-40(41)42)50-45-24-12-10-22-43(45)49(44-23-11-13-25-46(44)50)36-29-28-35-27-26-34-16-4-5-18-38(34)48(35)32-36/h1-32H.
What are the key properties of 9-phenanthren-3-yl-10-[4-(2-phenylphenyl)naphthalen-1-yl]anthracene?
9-phenanthren-3-yl-10-[4-(2-phenylphenyl)naphthalen-1-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-3-yl-10-[4-(2-phenylphenyl)naphthalen-1-yl]anthracene is sourced from PubChem (CID 58194536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).