methanol;8-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-5-phenylpyrido[4,3-b]indole

C52H36N2O — CID 159089156

IUPACmethanol;8-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-5-phenylpyrido[4,3-b]indole
SMILESCO.c1ccc(-n2c3ccncc3c3cc(-c4ccc(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)c5ccccc45)ccc32)cc1
InChIInChI=1S/C51H32N2.CH4O/c1-2-14-37(15-3-1)53-48-27-24-35(31-46(48)47-32-52-29-28-49(47)53)38-25-26-45(40-17-7-6-16-39(38)40)51-43-20-10-8-18-41(43)50(42-19-9-11-21-44(42)51)36-23-22-33-12-4-5-13-34(33)30-36;1-2/h1-32H;2H,1H3
InChIKeyKBVIPPJXNZOMRN-UHFFFAOYSA-N
MW704.87 g/mol
LogP13.40
Rot. Bonds4

About methanol;8-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-5-phenylpyrido[4,3-b]indole

methanol;8-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-5-phenylpyrido[4,3-b]indole (PubChem CID 159089156) has the molecular formula C52H36N2O and a molecular weight of 704.87 g/mol. Its IUPAC name is methanol;8-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-5-phenylpyrido[4,3-b]indole.

Molecular Properties

Compound Namemethanol;8-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-5-phenylpyrido[4,3-b]indole
PubChem CID159089156
Molecular FormulaC52H36N2O
Molecular Weight704.87 g/mol
Exact Mass704.28
IUPAC Namemethanol;8-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-5-phenylpyrido[4,3-b]indole
SMILESCO.c1ccc(-n2c3ccncc3c3cc(-c4ccc(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)c5ccccc45)ccc32)cc1
InChIInChI=1S/C51H32N2.CH4O/c1-2-14-37(15-3-1)53-48-27-24-35(31-46(48)47-32-52-29-28-49(47)53)38-25-26-45(40-17-7-6-16-39(38)40)51-43-20-10-8-18-41(43)50(42-19-9-11-21-44(42)51)36-23-22-33-12-4-5-13-34(33)30-36;1-2/h1-32H;2H,1H3
InChIKeyKBVIPPJXNZOMRN-UHFFFAOYSA-N
XLogP13.40
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.87
LogP ≤ 513.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-[6-(3-methyl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-5-phenylpyrido[4,3-b]indole
CID 146427804
8-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-5-(3-propylphenyl)pyrido[4,3-b]indole
CID 146360993
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-[6-(3-tert-butyl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-5-phenylpyrido[4,3-b]indole
CID 88886632
8-[2-(9,10-diphenylanthracen-2-yl)phenyl]-5-phenylpyrido[4,3-b]indole
CID 118601871
8-(9,10-diphenylanthracen-2-yl)-5-phenylpyrido[4,3-b]indole
CID 88879814
8-[6-[4-tert-butyl-6-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]-5-phenylpyrido[4,3-b]indole
CID 88886649
5-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyrido[4,3-b]indole
CID 151645202
3-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]pyridine
CID 88551707
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 methanol;8-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-5-phenylpyrido[4,3-b]indole?
The IUPAC name of methanol;8-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-5-phenylpyrido[4,3-b]indole (CID 159089156) is methanol;8-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-5-phenylpyrido[4,3-b]indole.
What is the SMILES notation for methanol;8-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-5-phenylpyrido[4,3-b]indole?
The canonical SMILES for methanol;8-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-5-phenylpyrido[4,3-b]indole is CO.c1ccc(-n2c3ccncc3c3cc(-c4ccc(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)c5ccccc45)ccc32)cc1.
What is the InChIKey of methanol;8-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-5-phenylpyrido[4,3-b]indole?
The InChIKey is KBVIPPJXNZOMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2.CH4O/c1-2-14-37(15-3-1)53-48-27-24-35(31-46(48)47-32-52-29-28-49(47)53)38-25-26-45(40-17-7-6-16-39(38)40)51-43-20-10-8-18-41(43)50(42-19-9-11-21-44(42)51)36-23-22-33-12-4-5-13-34(33)30-36;1-2/h1-32H;2H,1H3.
What are the key properties of methanol;8-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-5-phenylpyrido[4,3-b]indole?
methanol;8-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-5-phenylpyrido[4,3-b]indole has a molecular weight of 704.87 g/mol, XLogP of 13.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;8-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-5-phenylpyrido[4,3-b]indole is sourced from PubChem (CID 159089156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).