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

C49H32N2 — CID 118601871

IUPAC8-[2-(9,10-diphenylanthracen-2-yl)phenyl]-5-phenylpyrido[4,3-b]indole
SMILESc1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccccc4-c4ccc5c(c4)c4cnccc4n5-c4ccccc4)ccc23)cc1
InChIInChI=1S/C49H32N2/c1-4-14-33(15-5-1)48-40-22-12-13-23-41(40)49(34-16-6-2-7-17-34)44-31-35(24-26-42(44)48)38-20-10-11-21-39(38)36-25-27-46-43(30-36)45-32-50-29-28-47(45)51(46)37-18-8-3-9-19-37/h1-32H
InChIKeyXKGCYUXTEWVZDI-UHFFFAOYSA-N
MW648.81 g/mol
LogP13.15
Rot. Bonds5

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

8-[2-(9,10-diphenylanthracen-2-yl)phenyl]-5-phenylpyrido[4,3-b]indole (PubChem CID 118601871) has the molecular formula C49H32N2 and a molecular weight of 648.81 g/mol. Its IUPAC name is 8-[2-(9,10-diphenylanthracen-2-yl)phenyl]-5-phenylpyrido[4,3-b]indole.

Molecular Properties

Compound Name8-[2-(9,10-diphenylanthracen-2-yl)phenyl]-5-phenylpyrido[4,3-b]indole
PubChem CID118601871
Molecular FormulaC49H32N2
Molecular Weight648.81 g/mol
Exact Mass648.26
IUPAC Name8-[2-(9,10-diphenylanthracen-2-yl)phenyl]-5-phenylpyrido[4,3-b]indole
SMILESc1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccccc4-c4ccc5c(c4)c4cnccc4n5-c4ccccc4)ccc23)cc1
InChIInChI=1S/C49H32N2/c1-4-14-33(15-5-1)48-40-22-12-13-23-41(40)49(34-16-6-2-7-17-34)44-31-35(24-26-42(44)48)38-20-10-11-21-39(38)36-25-27-46-43(30-36)45-32-50-29-28-47(45)51(46)37-18-8-3-9-19-37/h1-32H
InChIKeyXKGCYUXTEWVZDI-UHFFFAOYSA-N
XLogP13.15
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.81
LogP ≤ 513.15
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-(9,10-diphenylanthracen-2-yl)-5-phenylpyrido[4,3-b]indole
CID 88879814
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-(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-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]-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 122524579
8-[9-(4-fluorophenyl)-10-phenylanthracen-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 122524563
8-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-5-(4-phenylphenyl)pyrido[4,3-b]indole
CID 121277490
8-[9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracen-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 122524566
5-phenyl-8-[3-[4-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidin-2-yl]phenyl]pyrido[4,3-b]indole
CID 118968780
5-phenyl-8-[6-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]pyrido[4,3-b]indole
CID 118604238
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
9-phenyl-3-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole
CID 146414179

Frequently Asked Questions

What is the IUPAC name of 8-[2-(9,10-diphenylanthracen-2-yl)phenyl]-5-phenylpyrido[4,3-b]indole?
The IUPAC name of 8-[2-(9,10-diphenylanthracen-2-yl)phenyl]-5-phenylpyrido[4,3-b]indole (CID 118601871) is 8-[2-(9,10-diphenylanthracen-2-yl)phenyl]-5-phenylpyrido[4,3-b]indole.
What is the SMILES notation for 8-[2-(9,10-diphenylanthracen-2-yl)phenyl]-5-phenylpyrido[4,3-b]indole?
The canonical SMILES for 8-[2-(9,10-diphenylanthracen-2-yl)phenyl]-5-phenylpyrido[4,3-b]indole is c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccccc4-c4ccc5c(c4)c4cnccc4n5-c4ccccc4)ccc23)cc1.
What is the InChIKey of 8-[2-(9,10-diphenylanthracen-2-yl)phenyl]-5-phenylpyrido[4,3-b]indole?
The InChIKey is XKGCYUXTEWVZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N2/c1-4-14-33(15-5-1)48-40-22-12-13-23-41(40)49(34-16-6-2-7-17-34)44-31-35(24-26-42(44)48)38-20-10-11-21-39(38)36-25-27-46-43(30-36)45-32-50-29-28-47(45)51(46)37-18-8-3-9-19-37/h1-32H.
What are the key properties of 8-[2-(9,10-diphenylanthracen-2-yl)phenyl]-5-phenylpyrido[4,3-b]indole?
8-[2-(9,10-diphenylanthracen-2-yl)phenyl]-5-phenylpyrido[4,3-b]indole has a molecular weight of 648.81 g/mol, XLogP of 13.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(9,10-diphenylanthracen-2-yl)phenyl]-5-phenylpyrido[4,3-b]indole is sourced from PubChem (CID 118601871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).