9-(6-carbazol-9-yl-9,10-dipyridin-2-ylanthracen-2-yl)carbazole

C48H30N4 — CID 59221065

IUPAC9-(6-carbazol-9-yl-9,10-dipyridin-2-ylanthracen-2-yl)carbazole
SMILESc1ccc(-c2c3ccc(-n4c5ccccc5c5ccccc54)cc3c(-c3ccccn3)c3ccc(-n4c5ccccc5c5ccccc54)cc23)nc1
InChIInChI=1S/C48H30N4/c1-5-19-43-33(13-1)34-14-2-6-20-44(34)51(43)31-23-25-37-39(29-31)47(41-17-9-11-27-49-41)38-26-24-32(30-40(38)48(37)42-18-10-12-28-50-42)52-45-21-7-3-15-35(45)36-16-4-8-22-46(36)52/h1-30H
InChIKeyJELDGFNFCKQHPD-UHFFFAOYSA-N
MW662.80 g/mol
LogP12.31
Rot. Bonds4

About 9-(6-carbazol-9-yl-9,10-dipyridin-2-ylanthracen-2-yl)carbazole

9-(6-carbazol-9-yl-9,10-dipyridin-2-ylanthracen-2-yl)carbazole (PubChem CID 59221065) has the molecular formula C48H30N4 and a molecular weight of 662.80 g/mol. Its IUPAC name is 9-(6-carbazol-9-yl-9,10-dipyridin-2-ylanthracen-2-yl)carbazole.

Molecular Properties

Compound Name9-(6-carbazol-9-yl-9,10-dipyridin-2-ylanthracen-2-yl)carbazole
PubChem CID59221065
Molecular FormulaC48H30N4
Molecular Weight662.80 g/mol
Exact Mass662.25
IUPAC Name9-(6-carbazol-9-yl-9,10-dipyridin-2-ylanthracen-2-yl)carbazole
SMILESc1ccc(-c2c3ccc(-n4c5ccccc5c5ccccc54)cc3c(-c3ccccn3)c3ccc(-n4c5ccccc5c5ccccc54)cc23)nc1
InChIInChI=1S/C48H30N4/c1-5-19-43-33(13-1)34-14-2-6-20-44(34)51(43)31-23-25-37-39(29-31)47(41-17-9-11-27-49-41)38-26-24-32(30-40(38)48(37)42-18-10-12-28-50-42)52-45-21-7-3-15-35(45)36-16-4-8-22-46(36)52/h1-30H
InChIKeyJELDGFNFCKQHPD-UHFFFAOYSA-N
XLogP12.31
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.80
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-carbazol-9-yl-9-(3-carbazol-9-yl-5-pyridin-2-ylphenyl)carbazole
CID 155770026
N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis(2-pyridin-2-ylphenyl)anthracen-2-amine
CID 59211049
9-[3-methyl-4-[10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]carbazole
CID 90249694
9-[6,10-di(carbazol-9-yl)triphenylen-2-yl]carbazole
CID 122548627
[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenyl-(4-pyridin-2-ylphenyl)silane
CID 132545707
N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis(3-pyridin-2-ylphenyl)anthracen-2-amine
CID 59211181
3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-2-ylphenyl)carbazole
CID 118967167
9-(3-carbazol-9-ylphenyl)-3-pyridin-2-ylpyrido[3,4-b]indole
CID 139574913
3,6-di(carbazol-9-yl)-9-[2-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]carbazole
CID 146654347
2-(3-carbazol-9-ylphenyl)-9-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole
CID 134252122
9-[4-[6-(4-pyridin-2-ylphenyl)-2-triphenylen-2-ylpyrimidin-4-yl]phenyl]carbazole
CID 121422890
diphenyl-[9-(2-pyridin-2-yl-4-pyridinyl)carbazol-2-yl]phosphane
CID 177070986

Frequently Asked Questions

What is the IUPAC name of 9-(6-carbazol-9-yl-9,10-dipyridin-2-ylanthracen-2-yl)carbazole?
The IUPAC name of 9-(6-carbazol-9-yl-9,10-dipyridin-2-ylanthracen-2-yl)carbazole (CID 59221065) is 9-(6-carbazol-9-yl-9,10-dipyridin-2-ylanthracen-2-yl)carbazole.
What is the SMILES notation for 9-(6-carbazol-9-yl-9,10-dipyridin-2-ylanthracen-2-yl)carbazole?
The canonical SMILES for 9-(6-carbazol-9-yl-9,10-dipyridin-2-ylanthracen-2-yl)carbazole is c1ccc(-c2c3ccc(-n4c5ccccc5c5ccccc54)cc3c(-c3ccccn3)c3ccc(-n4c5ccccc5c5ccccc54)cc23)nc1.
What is the InChIKey of 9-(6-carbazol-9-yl-9,10-dipyridin-2-ylanthracen-2-yl)carbazole?
The InChIKey is JELDGFNFCKQHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4/c1-5-19-43-33(13-1)34-14-2-6-20-44(34)51(43)31-23-25-37-39(29-31)47(41-17-9-11-27-49-41)38-26-24-32(30-40(38)48(37)42-18-10-12-28-50-42)52-45-21-7-3-15-35(45)36-16-4-8-22-46(36)52/h1-30H.
What are the key properties of 9-(6-carbazol-9-yl-9,10-dipyridin-2-ylanthracen-2-yl)carbazole?
9-(6-carbazol-9-yl-9,10-dipyridin-2-ylanthracen-2-yl)carbazole has a molecular weight of 662.80 g/mol, XLogP of 12.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-carbazol-9-yl-9,10-dipyridin-2-ylanthracen-2-yl)carbazole is sourced from PubChem (CID 59221065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).