6-[2-[2-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]-9-phenyl-1,2-dihydropyrido[2,3-b]indole

C55H38N2 — CID 126605163

IUPAC6-[2-[2-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]-9-phenyl-1,2-dihydropyrido[2,3-b]indole
SMILESC1=Cc2c(n(-c3ccccc3)c3ccc(-c4ccccc4-c4ccccc4-c4ccc5c(-c6ccccc6)c6ccccc6c(-c6ccccc6)c5c4)cc23)NC1
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/h1-33,35-36,56H,34H2
InChIKeyPTFAJSYQFOHFCU-UHFFFAOYSA-N
MW726.92 g/mol
LogP14.71
Rot. Bonds6

About 6-[2-[2-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]-9-phenyl-1,2-dihydropyrido[2,3-b]indole

6-[2-[2-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]-9-phenyl-1,2-dihydropyrido[2,3-b]indole (PubChem CID 126605163) has the molecular formula C55H38N2 and a molecular weight of 726.92 g/mol. Its IUPAC name is 6-[2-[2-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]-9-phenyl-1,2-dihydropyrido[2,3-b]indole.

Molecular Properties

Compound Name6-[2-[2-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]-9-phenyl-1,2-dihydropyrido[2,3-b]indole
PubChem CID126605163
Molecular FormulaC55H38N2
Molecular Weight726.92 g/mol
Exact Mass726.30
IUPAC Name6-[2-[2-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]-9-phenyl-1,2-dihydropyrido[2,3-b]indole
SMILESC1=Cc2c(n(-c3ccccc3)c3ccc(-c4ccccc4-c4ccccc4-c4ccc5c(-c6ccccc6)c6ccccc6c(-c6ccccc6)c5c4)cc23)NC1
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/h1-33,35-36,56H,34H2
InChIKeyPTFAJSYQFOHFCU-UHFFFAOYSA-N
XLogP14.71
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.92
LogP ≤ 514.71
H-Bond Donors ≤ 51
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-[2-(9,10-diphenylanthracen-2-yl)phenyl]-5-phenylpyrido[4,3-b]indole
CID 118601871
9-phenyl-3-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole
CID 146414179
6-[2-[2-(10-cyclohexa-2,4-dien-1-yl-9-phenylanthracen-2-yl)phenyl]phenyl]-9-phenylpyrido[2,3-b]indole
CID 137467005
9-phenyl-6-[4-(10-phenylanthracen-9-yl)cyclohexa-1,3-dien-1-yl]-1,2-dihydrocarbazole
CID 88932452
3-[9,10-dinaphthalen-1-yl-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole;2-naphthalen-1-yl-6,9,10-triphenylanthracene;2,9,10-trinaphthalen-1-yl-6-phenylanthracene
CID 160576501
9-[4-[10-(4-carbazol-9-ylphenyl)-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 58963473
3-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 118404981
8-(9,10-diphenylanthracen-2-yl)-5-phenylpyrido[4,3-b]indole
CID 88879814
5-[4-(10-phenylanthracen-9-yl)phenyl]-3-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 153314337
8-[3-(9,10-diphenylanthracen-2-yl)phenyl]-5-phenyl-1,2-dihydropyrido[4,3-b]indole
CID 126605131
9-phenyl-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole
CID 168729215
2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-5-phenylphenanthridin-6-one
CID 134576445

Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]-9-phenyl-1,2-dihydropyrido[2,3-b]indole?
The IUPAC name of 6-[2-[2-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]-9-phenyl-1,2-dihydropyrido[2,3-b]indole (CID 126605163) is 6-[2-[2-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]-9-phenyl-1,2-dihydropyrido[2,3-b]indole.
What is the SMILES notation for 6-[2-[2-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]-9-phenyl-1,2-dihydropyrido[2,3-b]indole?
The canonical SMILES for 6-[2-[2-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]-9-phenyl-1,2-dihydropyrido[2,3-b]indole is C1=Cc2c(n(-c3ccccc3)c3ccc(-c4ccccc4-c4ccccc4-c4ccc5c(-c6ccccc6)c6ccccc6c(-c6ccccc6)c5c4)cc23)NC1.
What is the InChIKey of 6-[2-[2-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]-9-phenyl-1,2-dihydropyrido[2,3-b]indole?
The InChIKey is PTFAJSYQFOHFCU-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/h1-33,35-36,56H,34H2.
What are the key properties of 6-[2-[2-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]-9-phenyl-1,2-dihydropyrido[2,3-b]indole?
6-[2-[2-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]-9-phenyl-1,2-dihydropyrido[2,3-b]indole has a molecular weight of 726.92 g/mol, XLogP of 14.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]-9-phenyl-1,2-dihydropyrido[2,3-b]indole is sourced from PubChem (CID 126605163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).