8-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-5-(3-propylphenyl)pyrido[4,3-b]indole

C54H38N2 — CID 146360993

IUPAC8-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-5-(3-propylphenyl)pyrido[4,3-b]indole
SMILESCCCc1cccc(-n2c3ccncc3c3cc(-c4ccc(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)c5ccccc45)ccc32)c1
InChIInChI=1S/C54H38N2/c1-2-12-35-13-11-16-40(31-35)56-51-28-25-38(33-49(51)50-34-55-30-29-52(50)56)41-26-27-48(43-18-6-5-17-42(41)43)54-46-21-9-7-19-44(46)53(45-20-8-10-22-47(45)54)39-24-23-36-14-3-4-15-37(36)32-39/h3-11,13-34H,2,12H2,1H3
InChIKeyVGOAZJRQGLISML-UHFFFAOYSA-N
MW714.91 g/mol
LogP14.74
Rot. Bonds6

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

8-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-5-(3-propylphenyl)pyrido[4,3-b]indole (PubChem CID 146360993) has the molecular formula C54H38N2 and a molecular weight of 714.91 g/mol. Its IUPAC name is 8-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-5-(3-propylphenyl)pyrido[4,3-b]indole.

Molecular Properties

Compound Name8-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-5-(3-propylphenyl)pyrido[4,3-b]indole
PubChem CID146360993
Molecular FormulaC54H38N2
Molecular Weight714.91 g/mol
Exact Mass714.30
IUPAC Name8-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-5-(3-propylphenyl)pyrido[4,3-b]indole
SMILESCCCc1cccc(-n2c3ccncc3c3cc(-c4ccc(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)c5ccccc45)ccc32)c1
InChIInChI=1S/C54H38N2/c1-2-12-35-13-11-16-40(31-35)56-51-28-25-38(33-49(51)50-34-55-30-29-52(50)56)41-26-27-48(43-18-6-5-17-42(41)43)54-46-21-9-7-19-44(46)53(45-20-8-10-22-47(45)54)39-24-23-36-14-3-4-15-37(36)32-39/h3-11,13-34H,2,12H2,1H3
InChIKeyVGOAZJRQGLISML-UHFFFAOYSA-N
XLogP14.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.91
LogP ≤ 514.74
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

methanol;8-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-5-phenylpyrido[4,3-b]indole
CID 159089156
8-[6-(3-methyl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-5-phenylpyrido[4,3-b]indole
CID 146427804
8-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-5-(4-phenylphenyl)pyrido[4,3-b]indole
CID 121277490
5,7-dinaphthalen-1-yl-10-naphthalen-2-ylbenzo[g]isoquinoline
CID 59184100
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
5-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyrido[4,3-b]indole
CID 151645202
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
3-isocyano-6-(10-naphthalen-1-ylanthracen-9-yl)-9-(3-pyridin-3-ylphenyl)carbazole
CID 123334675
5-[3-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-methylphenyl]phenyl]-1-phenylpyrido[4,3-b]indole;9-[2-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]phenyl]pyrido[3,4-b]indole;5-[3-[4-(9,10-diphenylanthracen-2-yl)-2-methylphenyl]phenyl]pyrido[4,3-b]indole;9-[2-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]pyrido[3,4-b]indole
CID 159877278
8-[2-(9,10-diphenylanthracen-2-yl)phenyl]-5-phenylpyrido[4,3-b]indole
CID 118601871
2-phenyl-3-(3-propylphenyl)benzo[e]indole
CID 70660628

Frequently Asked Questions

What is the IUPAC name of 8-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-5-(3-propylphenyl)pyrido[4,3-b]indole?
The IUPAC name of 8-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-5-(3-propylphenyl)pyrido[4,3-b]indole (CID 146360993) is 8-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-5-(3-propylphenyl)pyrido[4,3-b]indole.
What is the SMILES notation for 8-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-5-(3-propylphenyl)pyrido[4,3-b]indole?
The canonical SMILES for 8-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-5-(3-propylphenyl)pyrido[4,3-b]indole is CCCc1cccc(-n2c3ccncc3c3cc(-c4ccc(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)c5ccccc45)ccc32)c1.
What is the InChIKey of 8-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-5-(3-propylphenyl)pyrido[4,3-b]indole?
The InChIKey is VGOAZJRQGLISML-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N2/c1-2-12-35-13-11-16-40(31-35)56-51-28-25-38(33-49(51)50-34-55-30-29-52(50)56)41-26-27-48(43-18-6-5-17-42(41)43)54-46-21-9-7-19-44(46)53(45-20-8-10-22-47(45)54)39-24-23-36-14-3-4-15-37(36)32-39/h3-11,13-34H,2,12H2,1H3.
What are the key properties of 8-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-5-(3-propylphenyl)pyrido[4,3-b]indole?
8-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-5-(3-propylphenyl)pyrido[4,3-b]indole has a molecular weight of 714.91 g/mol, XLogP of 14.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-5-(3-propylphenyl)pyrido[4,3-b]indole is sourced from PubChem (CID 146360993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).