6-[2-[2-(10-cyclohexa-2,4-dien-1-yl-9-phenylanthracen-2-yl)phenyl]phenyl]-9-phenylpyrido[2,3-b]indole

C55H38N2 — CID 137467005

IUPAC6-[2-[2-(10-cyclohexa-2,4-dien-1-yl-9-phenylanthracen-2-yl)phenyl]phenyl]-9-phenylpyrido[2,3-b]indole
SMILESC1=CCC(c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccccc4-c4ccccc4-c4ccc5c(c4)c4cccnc4n5-c4ccccc4)ccc23)C=C1
InChIInChI=1S/C55H38N2/c1-4-17-37(18-5-1)53-46-27-14-15-28-47(46)54(38-19-6-2-7-20-38)51-36-39(30-32-48(51)53)42-23-10-12-25-44(42)45-26-13-11-24-43(45)40-31-33-52-50(35-40)49-29-16-34-56-55(49)57(52)41-21-8-3-9-22-41/h1-17,19-37H,18H2
InChIKeyOSHQOHUGPSORJJ-UHFFFAOYSA-N
MW726.92 g/mol
LogP14.75
Rot. Bonds6

About 6-[2-[2-(10-cyclohexa-2,4-dien-1-yl-9-phenylanthracen-2-yl)phenyl]phenyl]-9-phenylpyrido[2,3-b]indole

6-[2-[2-(10-cyclohexa-2,4-dien-1-yl-9-phenylanthracen-2-yl)phenyl]phenyl]-9-phenylpyrido[2,3-b]indole (PubChem CID 137467005) has the molecular formula C55H38N2 and a molecular weight of 726.92 g/mol. Its IUPAC name is 6-[2-[2-(10-cyclohexa-2,4-dien-1-yl-9-phenylanthracen-2-yl)phenyl]phenyl]-9-phenylpyrido[2,3-b]indole.

Molecular Properties

Compound Name6-[2-[2-(10-cyclohexa-2,4-dien-1-yl-9-phenylanthracen-2-yl)phenyl]phenyl]-9-phenylpyrido[2,3-b]indole
PubChem CID137467005
Molecular FormulaC55H38N2
Molecular Weight726.92 g/mol
Exact Mass726.30
IUPAC Name6-[2-[2-(10-cyclohexa-2,4-dien-1-yl-9-phenylanthracen-2-yl)phenyl]phenyl]-9-phenylpyrido[2,3-b]indole
SMILESC1=CCC(c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccccc4-c4ccccc4-c4ccc5c(c4)c4cccnc4n5-c4ccccc4)ccc23)C=C1
InChIInChI=1S/C55H38N2/c1-4-17-37(18-5-1)53-46-27-14-15-28-47(46)54(38-19-6-2-7-20-38)51-36-39(30-32-48(51)53)42-23-10-12-25-44(42)45-26-13-11-24-43(45)40-31-33-52-50(35-40)49-29-16-34-56-55(49)57(52)41-21-8-3-9-22-41/h1-17,19-37H,18H2
InChIKeyOSHQOHUGPSORJJ-UHFFFAOYSA-N
XLogP14.75
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.92
LogP ≤ 514.75
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

2-[9-[(1R)-cyclohexa-2,4-dien-1-yl]-10-(4-phenylphenyl)anthracen-2-yl]-1-phenylbenzimidazole
CID 155064850
N-(4-carbazol-9-ylphenyl)-N-[4-(9-cyclohexa-2,4-dien-1-yl-10-phenylanthracen-2-yl)phenyl]-4-phenylaniline
CID 88572392
6-[2-[5-(9,10-dinaphthalen-1-ylanthracen-2-yl)-2-naphthalen-1-yl-4-pyridinyl]phenyl]-9-phenylpyrido[2,3-b]indole
CID 88886686
8-[2-(9,10-diphenylanthracen-2-yl)phenyl]-5-phenylpyrido[4,3-b]indole
CID 118601871
3-(3-cyclohexa-2,4-dien-1-ylnaphthalen-2-yl)-6,9-diphenylcarbazole
CID 70995676
9-cyclohexa-2,4-dien-1-yl-6-[5-[4-(10-phenylanthracen-9-yl)phenyl]-2-pyridinyl]pyrido[2,3-b]indole
CID 88908847
9-(3-phenylphenyl)-6-[9-(4-phenylphenyl)carbazol-1-yl]pyrido[2,3-b]indole
CID 118586973
2-[6-(10-cyclohexa-2,4-dien-1-yl-9-phenylanthracen-2-yl)-3-pyridinyl]-3-methylquinoxaline
CID 163795489
6-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)pyrido[2,3-b]indole
CID 170064512
6-[2-[2-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]-9-phenyl-1,2-dihydropyrido[2,3-b]indole
CID 126605163
9-phenyl-3-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole
CID 146414179
3-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 123883456

Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-(10-cyclohexa-2,4-dien-1-yl-9-phenylanthracen-2-yl)phenyl]phenyl]-9-phenylpyrido[2,3-b]indole?
The IUPAC name of 6-[2-[2-(10-cyclohexa-2,4-dien-1-yl-9-phenylanthracen-2-yl)phenyl]phenyl]-9-phenylpyrido[2,3-b]indole (CID 137467005) is 6-[2-[2-(10-cyclohexa-2,4-dien-1-yl-9-phenylanthracen-2-yl)phenyl]phenyl]-9-phenylpyrido[2,3-b]indole.
What is the SMILES notation for 6-[2-[2-(10-cyclohexa-2,4-dien-1-yl-9-phenylanthracen-2-yl)phenyl]phenyl]-9-phenylpyrido[2,3-b]indole?
The canonical SMILES for 6-[2-[2-(10-cyclohexa-2,4-dien-1-yl-9-phenylanthracen-2-yl)phenyl]phenyl]-9-phenylpyrido[2,3-b]indole is C1=CCC(c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccccc4-c4ccccc4-c4ccc5c(c4)c4cccnc4n5-c4ccccc4)ccc23)C=C1.
What is the InChIKey of 6-[2-[2-(10-cyclohexa-2,4-dien-1-yl-9-phenylanthracen-2-yl)phenyl]phenyl]-9-phenylpyrido[2,3-b]indole?
The InChIKey is OSHQOHUGPSORJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N2/c1-4-17-37(18-5-1)53-46-27-14-15-28-47(46)54(38-19-6-2-7-20-38)51-36-39(30-32-48(51)53)42-23-10-12-25-44(42)45-26-13-11-24-43(45)40-31-33-52-50(35-40)49-29-16-34-56-55(49)57(52)41-21-8-3-9-22-41/h1-17,19-37H,18H2.
What are the key properties of 6-[2-[2-(10-cyclohexa-2,4-dien-1-yl-9-phenylanthracen-2-yl)phenyl]phenyl]-9-phenylpyrido[2,3-b]indole?
6-[2-[2-(10-cyclohexa-2,4-dien-1-yl-9-phenylanthracen-2-yl)phenyl]phenyl]-9-phenylpyrido[2,3-b]indole has a molecular weight of 726.92 g/mol, XLogP of 14.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-(10-cyclohexa-2,4-dien-1-yl-9-phenylanthracen-2-yl)phenyl]phenyl]-9-phenylpyrido[2,3-b]indole is sourced from PubChem (CID 137467005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).