3,6-diphenyl-9-[10-(9-phenylcarbazol-2-yl)anthracen-9-yl]carbazole

C56H36N2 — CID 118084392

IUPAC3,6-diphenyl-9-[10-(9-phenylcarbazol-2-yl)anthracen-9-yl]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2c3ccccc3c(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3ccccc23)cc1
InChIInChI=1S/C56H36N2/c1-4-16-37(17-5-1)39-29-32-52-49(34-39)50-35-40(38-18-6-2-7-19-38)30-33-53(50)58(52)56-47-25-12-10-23-45(47)55(46-24-11-13-26-48(46)56)41-28-31-44-43-22-14-15-27-51(43)57(54(44)36-41)42-20-8-3-9-21-42/h1-36H
InChIKeyUHIQZEVOGXVPMV-UHFFFAOYSA-N
MW736.92 g/mol
LogP15.19
Rot. Bonds5

About 3,6-diphenyl-9-[10-(9-phenylcarbazol-2-yl)anthracen-9-yl]carbazole

3,6-diphenyl-9-[10-(9-phenylcarbazol-2-yl)anthracen-9-yl]carbazole (PubChem CID 118084392) has the molecular formula C56H36N2 and a molecular weight of 736.92 g/mol. Its IUPAC name is 3,6-diphenyl-9-[10-(9-phenylcarbazol-2-yl)anthracen-9-yl]carbazole.

Molecular Properties

Compound Name3,6-diphenyl-9-[10-(9-phenylcarbazol-2-yl)anthracen-9-yl]carbazole
PubChem CID118084392
Molecular FormulaC56H36N2
Molecular Weight736.92 g/mol
Exact Mass736.29
IUPAC Name3,6-diphenyl-9-[10-(9-phenylcarbazol-2-yl)anthracen-9-yl]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2c3ccccc3c(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3ccccc23)cc1
InChIInChI=1S/C56H36N2/c1-4-16-37(17-5-1)39-29-32-52-49(34-39)50-35-40(38-18-6-2-7-19-38)30-33-53(50)58(52)56-47-25-12-10-23-45(47)55(46-24-11-13-26-48(46)56)41-28-31-44-43-22-14-15-27-51(43)57(54(44)36-41)42-20-8-3-9-21-42/h1-36H
InChIKeyUHIQZEVOGXVPMV-UHFFFAOYSA-N
XLogP15.19
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.92
LogP ≤ 515.19
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

9-phenyl-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole
CID 168729215
2-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)carbazole
CID 161163873
3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084405
6-(4-carbazol-9-ylphenyl)-2,9-diphenylcarbazole
CID 126682018
6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole
CID 137400811
2,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 166037407
9-phenyl-2-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129225606
9-(10-phenylanthracen-9-yl)-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole
CID 168729209
9-(4-phenylphenyl)-2-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 121285556
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
2-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 170072600
6-(7,9-diphenylcarbazol-3-yl)-2,9-diphenylcarbazole
CID 121262585

Frequently Asked Questions

What is the IUPAC name of 3,6-diphenyl-9-[10-(9-phenylcarbazol-2-yl)anthracen-9-yl]carbazole?
The IUPAC name of 3,6-diphenyl-9-[10-(9-phenylcarbazol-2-yl)anthracen-9-yl]carbazole (CID 118084392) is 3,6-diphenyl-9-[10-(9-phenylcarbazol-2-yl)anthracen-9-yl]carbazole.
What is the SMILES notation for 3,6-diphenyl-9-[10-(9-phenylcarbazol-2-yl)anthracen-9-yl]carbazole?
The canonical SMILES for 3,6-diphenyl-9-[10-(9-phenylcarbazol-2-yl)anthracen-9-yl]carbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2c3ccccc3c(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3ccccc23)cc1.
What is the InChIKey of 3,6-diphenyl-9-[10-(9-phenylcarbazol-2-yl)anthracen-9-yl]carbazole?
The InChIKey is UHIQZEVOGXVPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2/c1-4-16-37(17-5-1)39-29-32-52-49(34-39)50-35-40(38-18-6-2-7-19-38)30-33-53(50)58(52)56-47-25-12-10-23-45(47)55(46-24-11-13-26-48(46)56)41-28-31-44-43-22-14-15-27-51(43)57(54(44)36-41)42-20-8-3-9-21-42/h1-36H.
What are the key properties of 3,6-diphenyl-9-[10-(9-phenylcarbazol-2-yl)anthracen-9-yl]carbazole?
3,6-diphenyl-9-[10-(9-phenylcarbazol-2-yl)anthracen-9-yl]carbazole has a molecular weight of 736.92 g/mol, XLogP of 15.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diphenyl-9-[10-(9-phenylcarbazol-2-yl)anthracen-9-yl]carbazole is sourced from PubChem (CID 118084392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).