5-chrysen-6-yl-2-(10-phenyl-8a,9-dihydroanthracen-9-yl)pyridine

C43H29N — CID 88943692

IUPAC5-chrysen-6-yl-2-(10-phenyl-8a,9-dihydroanthracen-9-yl)pyridine
SMILESC1=CC2=C(c3ccccc3)c3ccccc3C(c3ccc(-c4cc5c6ccccc6ccc5c5ccccc45)cn3)C2C=C1
InChIInChI=1S/C43H29N/c1-2-13-29(14-3-1)42-35-18-8-10-20-37(35)43(38-21-11-9-19-36(38)42)41-25-23-30(27-44-41)39-26-40-31-15-5-4-12-28(31)22-24-34(40)32-16-6-7-17-33(32)39/h1-27,37,43H
InChIKeyKYNXZJSWPMITRU-UHFFFAOYSA-N
MW559.71 g/mol
LogP10.90
Rot. Bonds3

About 5-chrysen-6-yl-2-(10-phenyl-8a,9-dihydroanthracen-9-yl)pyridine

5-chrysen-6-yl-2-(10-phenyl-8a,9-dihydroanthracen-9-yl)pyridine (PubChem CID 88943692) has the molecular formula C43H29N and a molecular weight of 559.71 g/mol. Its IUPAC name is 5-chrysen-6-yl-2-(10-phenyl-8a,9-dihydroanthracen-9-yl)pyridine.

Molecular Properties

Compound Name5-chrysen-6-yl-2-(10-phenyl-8a,9-dihydroanthracen-9-yl)pyridine
PubChem CID88943692
Molecular FormulaC43H29N
Molecular Weight559.71 g/mol
Exact Mass559.23
IUPAC Name5-chrysen-6-yl-2-(10-phenyl-8a,9-dihydroanthracen-9-yl)pyridine
SMILESC1=CC2=C(c3ccccc3)c3ccccc3C(c3ccc(-c4cc5c6ccccc6ccc5c5ccccc45)cn3)C2C=C1
InChIInChI=1S/C43H29N/c1-2-13-29(14-3-1)42-35-18-8-10-20-37(35)43(38-21-11-9-19-36(38)42)41-25-23-30(27-44-41)39-26-40-31-15-5-4-12-28(31)22-24-34(40)32-16-6-7-17-33(32)39/h1-27,37,43H
InChIKeyKYNXZJSWPMITRU-UHFFFAOYSA-N
XLogP10.90
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.71
LogP ≤ 510.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-[10-(2-phenylphenyl)-4a,10-dihydroanthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 167515975
9-phenyl-1-[5-[10-(4-phenylphenyl)-4a,10-dihydroanthracen-9-yl]-2-pyridinyl]carbazole
CID 134531032
10-iodo-9-phenyl-4a,10-dihydroanthracene
CID 129174339
2-[10-(2-phenylphenyl)-8a,9-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 174292735
12-[4-(6-methyl-10-phenyl-4a,10-dihydroanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 163454620
2,4-diphenyl-6-(6-picen-4-yl-3-pyridinyl)-1,3,5-triazine
CID 167087504
2-[6,12-di(phenanthren-2-yl)chrysen-2-yl]-6,12-diphenylchrysene
CID 58501184
2-(3-chrysen-6-yl-5-phenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 130355580
6-[4-(3-naphthalen-1-ylphenyl)phenyl]chrysene
CID 140792190
1-cyclopenta-2,4-dien-1-ylphenanthrene
CID 131717701
3-[3-[4-(4a,10a-dihydrophenanthren-9-yl)phenyl]phenyl]phenanthrene
CID 143808820
2-[2-(3-chrysen-6-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 170248310

Frequently Asked Questions

What is the IUPAC name of 5-chrysen-6-yl-2-(10-phenyl-8a,9-dihydroanthracen-9-yl)pyridine?
The IUPAC name of 5-chrysen-6-yl-2-(10-phenyl-8a,9-dihydroanthracen-9-yl)pyridine (CID 88943692) is 5-chrysen-6-yl-2-(10-phenyl-8a,9-dihydroanthracen-9-yl)pyridine.
What is the SMILES notation for 5-chrysen-6-yl-2-(10-phenyl-8a,9-dihydroanthracen-9-yl)pyridine?
The canonical SMILES for 5-chrysen-6-yl-2-(10-phenyl-8a,9-dihydroanthracen-9-yl)pyridine is C1=CC2=C(c3ccccc3)c3ccccc3C(c3ccc(-c4cc5c6ccccc6ccc5c5ccccc45)cn3)C2C=C1.
What is the InChIKey of 5-chrysen-6-yl-2-(10-phenyl-8a,9-dihydroanthracen-9-yl)pyridine?
The InChIKey is KYNXZJSWPMITRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N/c1-2-13-29(14-3-1)42-35-18-8-10-20-37(35)43(38-21-11-9-19-36(38)42)41-25-23-30(27-44-41)39-26-40-31-15-5-4-12-28(31)22-24-34(40)32-16-6-7-17-33(32)39/h1-27,37,43H.
What are the key properties of 5-chrysen-6-yl-2-(10-phenyl-8a,9-dihydroanthracen-9-yl)pyridine?
5-chrysen-6-yl-2-(10-phenyl-8a,9-dihydroanthracen-9-yl)pyridine has a molecular weight of 559.71 g/mol, XLogP of 10.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chrysen-6-yl-2-(10-phenyl-8a,9-dihydroanthracen-9-yl)pyridine is sourced from PubChem (CID 88943692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).