6-(10-phenylanthracen-9-yl)chrysene

C38H24 — CID 123188642

IUPAC6-(10-phenylanthracen-9-yl)chrysene
SMILESc1ccc(-c2c3ccccc3c(-c3cc4c5ccccc5ccc4c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C38H24/c1-2-13-26(14-3-1)37-31-18-8-10-20-33(31)38(34-21-11-9-19-32(34)37)36-24-35-27-15-5-4-12-25(27)22-23-30(35)28-16-6-7-17-29(28)36/h1-24H
InChIKeyMDSQHTBAXINEDY-UHFFFAOYSA-N
MW480.61 g/mol
LogP10.79
Rot. Bonds2

About 6-(10-phenylanthracen-9-yl)chrysene

6-(10-phenylanthracen-9-yl)chrysene (PubChem CID 123188642) has the molecular formula C38H24 and a molecular weight of 480.61 g/mol. Its IUPAC name is 6-(10-phenylanthracen-9-yl)chrysene.

Molecular Properties

Compound Name6-(10-phenylanthracen-9-yl)chrysene
PubChem CID123188642
Molecular FormulaC38H24
Molecular Weight480.61 g/mol
Exact Mass480.19
IUPAC Name6-(10-phenylanthracen-9-yl)chrysene
SMILESc1ccc(-c2c3ccccc3c(-c3cc4c5ccccc5ccc4c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C38H24/c1-2-13-26(14-3-1)37-31-18-8-10-20-33(31)38(34-21-11-9-19-32(34)37)36-24-35-27-15-5-4-12-25(27)22-23-30(35)28-16-6-7-17-29(28)36/h1-24H
InChIKeyMDSQHTBAXINEDY-UHFFFAOYSA-N
XLogP10.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.61
LogP ≤ 510.79
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-phenanthren-9-yl-10-phenylanthracene
CID 59592440
9-phenanthren-9-yl-2-phenyl-10-(4-phenylphenyl)anthracene
CID 58323135
9-phenanthren-1-yl-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 176590384
2-phenyl-10-(10-phenylanthracen-9-yl)phenanthrene
CID 123229235
1,2-dinaphthalen-1-yl-3-phenylchrysene
CID 166134369
anthracene;chrysene;9,10-diphenylanthracene;naphthalene;pyrene
CID 174820118
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
7-phenyl-3-(7-phenylbenzo[a]anthracen-3-yl)benzo[a]anthracene
CID 59412706
9-phenanthren-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 58194514
4-(10-phenylanthracen-9-yl)benzo[a]anthracene
CID 59412708
4,11-bis(10-phenylanthracen-9-yl)benzo[a]anthracene
CID 123941772
4-[10-[4-(4-chrysen-6-ylphenyl)phenyl]anthracen-9-yl]pyridine
CID 88868967

Frequently Asked Questions

What is the IUPAC name of 6-(10-phenylanthracen-9-yl)chrysene?
The IUPAC name of 6-(10-phenylanthracen-9-yl)chrysene (CID 123188642) is 6-(10-phenylanthracen-9-yl)chrysene.
What is the SMILES notation for 6-(10-phenylanthracen-9-yl)chrysene?
The canonical SMILES for 6-(10-phenylanthracen-9-yl)chrysene is c1ccc(-c2c3ccccc3c(-c3cc4c5ccccc5ccc4c4ccccc34)c3ccccc23)cc1.
What is the InChIKey of 6-(10-phenylanthracen-9-yl)chrysene?
The InChIKey is MDSQHTBAXINEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24/c1-2-13-26(14-3-1)37-31-18-8-10-20-33(31)38(34-21-11-9-19-32(34)37)36-24-35-27-15-5-4-12-25(27)22-23-30(35)28-16-6-7-17-29(28)36/h1-24H.
What are the key properties of 6-(10-phenylanthracen-9-yl)chrysene?
6-(10-phenylanthracen-9-yl)chrysene has a molecular weight of 480.61 g/mol, XLogP of 10.79, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(10-phenylanthracen-9-yl)chrysene is sourced from PubChem (CID 123188642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).