8-[6-(3-methyl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-5-phenylpyrido[4,3-b]indole

C52H34N2 — CID 146427804

IUPAC8-[6-(3-methyl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-5-phenylpyrido[4,3-b]indole
SMILESCc1ccc2c(-c3ccc4cc(-c5ccc6c(c5)c5cnccc5n6-c5ccccc5)ccc4c3)c3ccccc3c(-c3ccc4ccccc4c3)c2c1
InChIInChI=1S/C52H34N2/c1-33-15-23-45-47(27-33)52(41-20-16-34-9-5-6-10-35(34)29-41)44-14-8-7-13-43(44)51(45)40-21-19-36-28-37(17-18-38(36)30-40)39-22-24-49-46(31-39)48-32-53-26-25-50(48)54(49)42-11-3-2-4-12-42/h2-32H,1H3
InChIKeyVDQDWLOZCCWUSA-UHFFFAOYSA-N
MW686.86 g/mol
LogP14.10
Rot. Bonds4

About 8-[6-(3-methyl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-5-phenylpyrido[4,3-b]indole

8-[6-(3-methyl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-5-phenylpyrido[4,3-b]indole (PubChem CID 146427804) has the molecular formula C52H34N2 and a molecular weight of 686.86 g/mol. Its IUPAC name is 8-[6-(3-methyl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-5-phenylpyrido[4,3-b]indole.

Molecular Properties

Compound Name8-[6-(3-methyl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-5-phenylpyrido[4,3-b]indole
PubChem CID146427804
Molecular FormulaC52H34N2
Molecular Weight686.86 g/mol
Exact Mass686.27
IUPAC Name8-[6-(3-methyl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-5-phenylpyrido[4,3-b]indole
SMILESCc1ccc2c(-c3ccc4cc(-c5ccc6c(c5)c5cnccc5n6-c5ccccc5)ccc4c3)c3ccccc3c(-c3ccc4ccccc4c3)c2c1
InChIInChI=1S/C52H34N2/c1-33-15-23-45-47(27-33)52(41-20-16-34-9-5-6-10-35(34)29-41)44-14-8-7-13-43(44)51(45)40-21-19-36-28-37(17-18-38(36)30-40)39-22-24-49-46(31-39)48-32-53-26-25-50(48)54(49)42-11-3-2-4-12-42/h2-32H,1H3
InChIKeyVDQDWLOZCCWUSA-UHFFFAOYSA-N
XLogP14.10
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.86
LogP ≤ 514.10
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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Related Compounds

8-[6-(3-tert-butyl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-5-phenylpyrido[4,3-b]indole
CID 88886632
8-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-5-(4-phenylphenyl)pyrido[4,3-b]indole
CID 121277490
8-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyrimidin-4-yl]-5-phenylpyrido[4,3-b]indole
CID 118968803
8-(9,10-diphenylanthracen-2-yl)-5-phenylpyrido[4,3-b]indole
CID 88879814
methanol;8-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-5-phenylpyrido[4,3-b]indole
CID 159089156
8-[10-(4a,8a-dihydronaphthalen-2-yl)-9-naphthalen-2-ylanthracen-2-yl]-5-phenylpyrido[4,3-b]indole
CID 130449633
8-[2-(9,10-diphenylanthracen-2-yl)phenyl]-5-phenylpyrido[4,3-b]indole
CID 118601871
8-(9,10-dinaphthalen-2-yl-5,6-dihydroanthracen-2-yl)-5-phenylpyrido[4,3-b]indole
CID 146360933
3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-9-phenylcarbazole
CID 176777777
8-(6-methyl-9,10-diphenylanthracen-2-yl)-17-phenyl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
CID 122524562
8-(9,10-dinaphthalen-1-ylanthracen-2-yl)-5-phenylpyrido[4,3-b]indole;8-(9,10-diphenylanthracen-2-yl)-5-(4-phenylphenyl)pyrido[4,3-b]indole;8-(9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl)-5-phenylpyrido[4,3-b]indole
CID 158322958
8-[4-[6-naphthalen-2-yl-2-[3-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]phenyl]-5-(4-phenylphenyl)pyrido[4,3-b]indole
CID 118968771

Frequently Asked Questions

What is the IUPAC name of 8-[6-(3-methyl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-5-phenylpyrido[4,3-b]indole?
The IUPAC name of 8-[6-(3-methyl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-5-phenylpyrido[4,3-b]indole (CID 146427804) is 8-[6-(3-methyl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-5-phenylpyrido[4,3-b]indole.
What is the SMILES notation for 8-[6-(3-methyl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-5-phenylpyrido[4,3-b]indole?
The canonical SMILES for 8-[6-(3-methyl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-5-phenylpyrido[4,3-b]indole is Cc1ccc2c(-c3ccc4cc(-c5ccc6c(c5)c5cnccc5n6-c5ccccc5)ccc4c3)c3ccccc3c(-c3ccc4ccccc4c3)c2c1.
What is the InChIKey of 8-[6-(3-methyl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-5-phenylpyrido[4,3-b]indole?
The InChIKey is VDQDWLOZCCWUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2/c1-33-15-23-45-47(27-33)52(41-20-16-34-9-5-6-10-35(34)29-41)44-14-8-7-13-43(44)51(45)40-21-19-36-28-37(17-18-38(36)30-40)39-22-24-49-46(31-39)48-32-53-26-25-50(48)54(49)42-11-3-2-4-12-42/h2-32H,1H3.
What are the key properties of 8-[6-(3-methyl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-5-phenylpyrido[4,3-b]indole?
8-[6-(3-methyl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-5-phenylpyrido[4,3-b]indole has a molecular weight of 686.86 g/mol, XLogP of 14.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(3-methyl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-5-phenylpyrido[4,3-b]indole is sourced from PubChem (CID 146427804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).