8-(9,10-diphenylanthracen-2-yl)-5-phenylpyrido[4,3-b]indole

C43H28N2 — CID 88879814

IUPAC8-(9,10-diphenylanthracen-2-yl)-5-phenylpyrido[4,3-b]indole
SMILESc1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc5c(c4)c4cnccc4n5-c4ccccc4)ccc23)cc1
InChIInChI=1S/C43H28N2/c1-4-12-29(13-5-1)42-34-18-10-11-19-35(34)43(30-14-6-2-7-15-30)38-27-31(20-22-36(38)42)32-21-23-40-37(26-32)39-28-44-25-24-41(39)45(40)33-16-8-3-9-17-33/h1-28H
InChIKeyFUMWVRHAEZHBRD-UHFFFAOYSA-N
MW572.71 g/mol
LogP11.49
Rot. Bonds4

About 8-(9,10-diphenylanthracen-2-yl)-5-phenylpyrido[4,3-b]indole

8-(9,10-diphenylanthracen-2-yl)-5-phenylpyrido[4,3-b]indole (PubChem CID 88879814) has the molecular formula C43H28N2 and a molecular weight of 572.71 g/mol. Its IUPAC name is 8-(9,10-diphenylanthracen-2-yl)-5-phenylpyrido[4,3-b]indole.

Molecular Properties

Compound Name8-(9,10-diphenylanthracen-2-yl)-5-phenylpyrido[4,3-b]indole
PubChem CID88879814
Molecular FormulaC43H28N2
Molecular Weight572.71 g/mol
Exact Mass572.23
IUPAC Name8-(9,10-diphenylanthracen-2-yl)-5-phenylpyrido[4,3-b]indole
SMILESc1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc5c(c4)c4cnccc4n5-c4ccccc4)ccc23)cc1
InChIInChI=1S/C43H28N2/c1-4-12-29(13-5-1)42-34-18-10-11-19-35(34)43(30-14-6-2-7-15-30)38-27-31(20-22-36(38)42)32-21-23-40-37(26-32)39-28-44-25-24-41(39)45(40)33-16-8-3-9-17-33/h1-28H
InChIKeyFUMWVRHAEZHBRD-UHFFFAOYSA-N
XLogP11.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.71
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(9,10-diphenylanthracen-2-yl)-5-phenylpyrido[4,3-b]indole?
The IUPAC name of 8-(9,10-diphenylanthracen-2-yl)-5-phenylpyrido[4,3-b]indole (CID 88879814) is 8-(9,10-diphenylanthracen-2-yl)-5-phenylpyrido[4,3-b]indole.
What is the SMILES notation for 8-(9,10-diphenylanthracen-2-yl)-5-phenylpyrido[4,3-b]indole?
The canonical SMILES for 8-(9,10-diphenylanthracen-2-yl)-5-phenylpyrido[4,3-b]indole is c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc5c(c4)c4cnccc4n5-c4ccccc4)ccc23)cc1.
What is the InChIKey of 8-(9,10-diphenylanthracen-2-yl)-5-phenylpyrido[4,3-b]indole?
The InChIKey is FUMWVRHAEZHBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2/c1-4-12-29(13-5-1)42-34-18-10-11-19-35(34)43(30-14-6-2-7-15-30)38-27-31(20-22-36(38)42)32-21-23-40-37(26-32)39-28-44-25-24-41(39)45(40)33-16-8-3-9-17-33/h1-28H.
What are the key properties of 8-(9,10-diphenylanthracen-2-yl)-5-phenylpyrido[4,3-b]indole?
8-(9,10-diphenylanthracen-2-yl)-5-phenylpyrido[4,3-b]indole has a molecular weight of 572.71 g/mol, XLogP of 11.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(9,10-diphenylanthracen-2-yl)-5-phenylpyrido[4,3-b]indole is sourced from PubChem (CID 88879814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).