5-phenyl-2-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[b]carbazole

C53H34N2 — CID 134531069

IUPAC5-phenyl-2-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)c5cc7ccccc7cc5n6-c5ccccc5)nc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C53H34N2/c1-3-13-35(14-4-1)36-23-25-37(26-24-36)52-43-19-9-11-21-45(43)53(46-22-12-10-20-44(46)52)41-27-29-49(54-34-41)40-28-30-50-47(32-40)48-31-38-15-7-8-16-39(38)33-51(48)55(50)42-17-5-2-6-18-42/h1-34H
InChIKeyUXMOYBCDJNDQLE-UHFFFAOYSA-N
MW698.87 g/mol
LogP14.31
Rot. Bonds5

About 5-phenyl-2-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[b]carbazole

5-phenyl-2-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[b]carbazole (PubChem CID 134531069) has the molecular formula C53H34N2 and a molecular weight of 698.87 g/mol. Its IUPAC name is 5-phenyl-2-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[b]carbazole.

Molecular Properties

Compound Name5-phenyl-2-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[b]carbazole
PubChem CID134531069
Molecular FormulaC53H34N2
Molecular Weight698.87 g/mol
Exact Mass698.27
IUPAC Name5-phenyl-2-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)c5cc7ccccc7cc5n6-c5ccccc5)nc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C53H34N2/c1-3-13-35(14-4-1)36-23-25-37(26-24-36)52-43-19-9-11-21-45(43)53(46-22-12-10-20-44(46)52)41-27-29-49(54-34-41)40-28-30-50-47(32-40)48-31-38-15-7-8-16-39(38)33-51(48)55(50)42-17-5-2-6-18-42/h1-34H
InChIKeyUXMOYBCDJNDQLE-UHFFFAOYSA-N
XLogP14.31
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.87
LogP ≤ 514.31
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

5-phenyl-3-[6-[10-(4-phenylphenyl)anthracen-9-yl]-3-pyridinyl]benzo[b]carbazole
CID 153144473
(3Z)-penta-1,3-diene;5-phenyl-3-[5-(10-phenylanthracen-9-yl)-2-pyridinyl]benzo[b]carbazole
CID 142353409
9-phenyl-3-[5-[6-(9-phenylcarbazol-3-yl)-3-pyridinyl]-2-pyridinyl]carbazole
CID 56943928
5-[4-(10-phenylanthracen-9-yl)phenyl]-3-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 153314337
9-phenyl-2-[6-(10-phenylanthracen-9-yl)-3-pyridinyl]carbazole
CID 147817509
3-(10-naphthalen-2-ylanthracen-9-yl)-8-(3-naphthalen-2-yl-5-phenylpyrido[4,3-b]indol-8-yl)-1,10-phenanthroline
CID 88886656
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-phenylpyridine
CID 90361384
7-phenyl-11-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[c]carbazole
CID 134531040
2-naphthalen-2-yl-5-(10-naphthalen-2-ylanthracen-9-yl)pyridine
CID 121277468
9-phenyl-3-[4-[10-[4-(9-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]carbazole;9-phenyl-3-[4-[4-[10-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]carbazole
CID 158416546
5-(10-naphthalen-2-ylanthracen-9-yl)-2-[3-[5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]phenyl]pyridine
CID 174903865
3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-9-phenylcarbazole
CID 176777777

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[b]carbazole?
The IUPAC name of 5-phenyl-2-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[b]carbazole (CID 134531069) is 5-phenyl-2-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[b]carbazole.
What is the SMILES notation for 5-phenyl-2-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[b]carbazole?
The canonical SMILES for 5-phenyl-2-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[b]carbazole is c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)c5cc7ccccc7cc5n6-c5ccccc5)nc4)c4ccccc34)cc2)cc1.
What is the InChIKey of 5-phenyl-2-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[b]carbazole?
The InChIKey is UXMOYBCDJNDQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2/c1-3-13-35(14-4-1)36-23-25-37(26-24-36)52-43-19-9-11-21-45(43)53(46-22-12-10-20-44(46)52)41-27-29-49(54-34-41)40-28-30-50-47(32-40)48-31-38-15-7-8-16-39(38)33-51(48)55(50)42-17-5-2-6-18-42/h1-34H.
What are the key properties of 5-phenyl-2-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[b]carbazole?
5-phenyl-2-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[b]carbazole has a molecular weight of 698.87 g/mol, XLogP of 14.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[b]carbazole is sourced from PubChem (CID 134531069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).