5-[3-(3-dibenzofuran-2-yl-4-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole

C62H38N6O — CID 147103231

IUPAC5-[3-(3-dibenzofuran-2-yl-4-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)cc3-c3ccncc3-c3ccc4oc5ccccc5c4c3)n2)cc1
InChIInChI=1S/C62H38N6O/c1-4-16-39(17-5-1)60-64-61(40-18-6-2-7-19-40)66-62(65-60)48-30-29-43(37-50(48)44-34-35-63-38-52(44)41-28-33-57-51(36-41)46-23-12-15-27-56(46)69-57)67-54-26-14-11-24-49(54)58-55(67)32-31-47-45-22-10-13-25-53(45)68(59(47)58)42-20-8-3-9-21-42/h1-38H
InChIKeyBLBGMTCGQXMQKT-UHFFFAOYSA-N
MW883.03 g/mol
LogP15.70
Rot. Bonds7

About 5-[3-(3-dibenzofuran-2-yl-4-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole

5-[3-(3-dibenzofuran-2-yl-4-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole (PubChem CID 147103231) has the molecular formula C62H38N6O and a molecular weight of 883.03 g/mol. Its IUPAC name is 5-[3-(3-dibenzofuran-2-yl-4-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[3-(3-dibenzofuran-2-yl-4-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
PubChem CID147103231
Molecular FormulaC62H38N6O
Molecular Weight883.03 g/mol
Exact Mass882.31
IUPAC Name5-[3-(3-dibenzofuran-2-yl-4-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)cc3-c3ccncc3-c3ccc4oc5ccccc5c4c3)n2)cc1
InChIInChI=1S/C62H38N6O/c1-4-16-39(17-5-1)60-64-61(40-18-6-2-7-19-40)66-62(65-60)48-30-29-43(37-50(48)44-34-35-63-38-52(44)41-28-33-57-51(36-41)46-23-12-15-27-56(46)69-57)67-54-26-14-11-24-49(54)58-55(67)32-31-47-45-22-10-13-25-53(45)68(59(47)58)42-20-8-3-9-21-42/h1-38H
InChIKeyBLBGMTCGQXMQKT-UHFFFAOYSA-N
XLogP15.70
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.03
LogP ≤ 515.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[3-(3-dibenzofuran-2-yl-4-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole with MolForge

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Related Compounds

9-[3-(3-dibenzofuran-2-yl-4-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole
CID 146896773
12-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 169015007
5-[4-(6-dibenzofuran-2-yl-2-phenylpyrimidin-4-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 90085731
9-[3-(4-dibenzofuran-2-yl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole
CID 162573799
12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-5-phenylindolo[3,2-c]carbazole
CID 118699664
9-[3-(4-dibenzofuran-2-yl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole
CID 162573800
5-[4-[4,6-bis(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-3-dibenzofuran-2-ylphenyl]benzo[b]carbazole
CID 155430650
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-1-[3-[4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,6-diphenylcarbazole
CID 163931236
12-dibenzofuran-2-yl-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 163700915
5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole
CID 169036896
12-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylindolo[2,3-a]carbazole
CID 139497027
12-dibenzofuran-2-yl-11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 139497007

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-dibenzofuran-2-yl-4-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole?
The IUPAC name of 5-[3-(3-dibenzofuran-2-yl-4-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole (CID 147103231) is 5-[3-(3-dibenzofuran-2-yl-4-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 5-[3-(3-dibenzofuran-2-yl-4-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 5-[3-(3-dibenzofuran-2-yl-4-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)cc3-c3ccncc3-c3ccc4oc5ccccc5c4c3)n2)cc1.
What is the InChIKey of 5-[3-(3-dibenzofuran-2-yl-4-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole?
The InChIKey is BLBGMTCGQXMQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N6O/c1-4-16-39(17-5-1)60-64-61(40-18-6-2-7-19-40)66-62(65-60)48-30-29-43(37-50(48)44-34-35-63-38-52(44)41-28-33-57-51(36-41)46-23-12-15-27-56(46)69-57)67-54-26-14-11-24-49(54)58-55(67)32-31-47-45-22-10-13-25-53(45)68(59(47)58)42-20-8-3-9-21-42/h1-38H.
What are the key properties of 5-[3-(3-dibenzofuran-2-yl-4-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole?
5-[3-(3-dibenzofuran-2-yl-4-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole has a molecular weight of 883.03 g/mol, XLogP of 15.70, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-dibenzofuran-2-yl-4-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 147103231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).