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
SMILESC1=CC=C(C=C1)C2=CC3=C(C=C2)N(C4=C3C=C(C=C4)C5=CC=CC=C5)C6=C7C=CC=CC7=C(C8=CC=CC=C86)C9=CC1=C(C=C9)C2=CC=CC=C2N1C1=CC=CC=C1
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
MW736.90 g/mol
LogP15.50
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 736.90 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 Weight736.90 g/mol
Exact Mass736.29
IUPAC Name3,6-diphenyl-9-[10-(9-phenylcarbazol-2-yl)anthracen-9-yl]carbazole
SMILESC1=CC=C(C=C1)C2=CC3=C(C=C2)N(C4=C3C=C(C=C4)C5=CC=CC=C5)C6=C7C=CC=CC7=C(C8=CC=CC=C86)C9=CC1=C(C=C9)C2=CC=CC=C2N1C1=CC=CC=C1
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
XLogP15.50
TPSA9.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms58
Complexity1290

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.90
LogP ≤ 515.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

7H-Dibenzo(c,g)carbazole
CID 9134
DIBENZ(a,h)ACRIDINE
CID 9183
Benzo[a]carbazole
CID 9196
Dibenz(a,c)acridine
CID 9165
9-Methyl-3-[1-(2-methylquinolin-4-yl)ethenyl]carbazole
CID 135393502
5H-benzo[b]carbazole
CID 9202
7H-Benzo[c]carbazole
CID 67459
2,3,4,11-tetrahydro-1H-benzo[a]carbazole
CID 11593764
7-Methyl-7H-dibenzo(c,g)carbazole
CID 33699
Dextranase
CID 167312536
9-(1-Naphthyl)carbazole
CID 626218
3,9'-Bicarbazole
CID 13236022

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 C1=CC=C(C=C1)C2=CC3=C(C=C2)N(C4=C3C=C(C=C4)C5=CC=CC=C5)C6=C7C=CC=CC7=C(C8=CC=CC=C86)C9=CC1=C(C=C9)C2=CC=CC=C2N1C1=CC=CC=C1.
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 736.90 g/mol, XLogP of 15.50, 5 rotatable bonds, 0 hydrogen bond donors, and 0 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).