2-(3-diphenylphosphorylphenyl)-4-(3-phenylphenyl)-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine;9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole

C128H86N13OP — CID 159712847

IUPAC2-(3-diphenylphosphorylphenyl)-4-(3-phenylphenyl)-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine;9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
SMILESO=P(c1ccccc1)(c1ccccc1)c1cccc(-c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3cccc(-c4cccnc4)c3)n2)c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c3)n2)cc1
InChIInChI=1S/C45H29N5.C44H31N4OP.C39H26N4/c1-4-14-30(15-5-1)43-46-44(31-16-6-2-7-17-31)48-45(47-43)32-24-26-34(27-25-32)50-38-22-12-10-20-35(38)36-28-29-40-41(42(36)50)37-21-11-13-23-39(37)49(40)33-18-8-3-9-19-33;49-50(39-22-6-2-7-23-39,40-24-8-3-9-25-40)41-26-12-20-37(30-41)44-47-42(35-18-10-16-33(28-35)32-14-4-1-5-15-32)46-43(48-44)36-19-11-17-34(29-36)38-21-13-27-45-31-38;1-3-13-27(14-4-1)37-40-38(28-15-5-2-6-16-28)42-39(41-37)31-19-11-17-29(25-31)30-18-12-20-32(26-30)43-35-23-9-7-21-33(35)34-22-8-10-24-36(34)43/h1-29H;1-31H;1-26H
InChIKeyMZBGKNGOEXIJEE-UHFFFAOYSA-N
MW1853.16 g/mol
LogP29.94
Rot. Bonds18

About 2-(3-diphenylphosphorylphenyl)-4-(3-phenylphenyl)-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine;9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole

2-(3-diphenylphosphorylphenyl)-4-(3-phenylphenyl)-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine;9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole (PubChem CID 159712847) has the molecular formula C128H86N13OP and a molecular weight of 1853.16 g/mol. Its IUPAC name is 2-(3-diphenylphosphorylphenyl)-4-(3-phenylphenyl)-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine;9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name2-(3-diphenylphosphorylphenyl)-4-(3-phenylphenyl)-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine;9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
PubChem CID159712847
Molecular FormulaC128H86N13OP
Molecular Weight1853.16 g/mol
Exact Mass1851.68
IUPAC Name2-(3-diphenylphosphorylphenyl)-4-(3-phenylphenyl)-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine;9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
SMILESO=P(c1ccccc1)(c1ccccc1)c1cccc(-c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3cccc(-c4cccnc4)c3)n2)c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c3)n2)cc1
InChIInChI=1S/C45H29N5.C44H31N4OP.C39H26N4/c1-4-14-30(15-5-1)43-46-44(31-16-6-2-7-17-31)48-45(47-43)32-24-26-34(27-25-32)50-38-22-12-10-20-35(38)36-28-29-40-41(42(36)50)37-21-11-13-23-39(37)49(40)33-18-8-3-9-19-33;49-50(39-22-6-2-7-23-39,40-24-8-3-9-25-40)41-26-12-20-37(30-41)44-47-42(35-18-10-16-33(28-35)32-14-4-1-5-15-32)46-43(48-44)36-19-11-17-34(29-36)38-21-13-27-45-31-38;1-3-13-27(14-4-1)37-40-38(28-15-5-2-6-16-28)42-39(41-37)31-19-11-17-29(25-31)30-18-12-20-32(26-30)43-35-23-9-7-21-33(35)34-22-8-10-24-36(34)43/h1-29H;1-31H;1-26H
InChIKeyMZBGKNGOEXIJEE-UHFFFAOYSA-N
XLogP29.94
TPSA160.76 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001853.16
LogP ≤ 529.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 2-(3-diphenylphosphorylphenyl)-4-(3-phenylphenyl)-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine;9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole with MolForge

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Related Compounds

5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 139496723
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole;5-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;5-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 161319412
12-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole;12-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 159270827
12-(3-phenylphenyl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 134507233
12-phenyl-5-[4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 164799948
5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 170268443
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 169037225
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-10-[4-[4-phenyl-6-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 163726164
5-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 169014315
12-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 169014428
12-phenyl-5-[4-[6-phenyl-2-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole
CID 139496953
12-(4-phenylphenyl)-5-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 155240814

Frequently Asked Questions

What is the IUPAC name of 2-(3-diphenylphosphorylphenyl)-4-(3-phenylphenyl)-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine;9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole?
The IUPAC name of 2-(3-diphenylphosphorylphenyl)-4-(3-phenylphenyl)-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine;9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole (CID 159712847) is 2-(3-diphenylphosphorylphenyl)-4-(3-phenylphenyl)-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine;9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 2-(3-diphenylphosphorylphenyl)-4-(3-phenylphenyl)-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine;9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 2-(3-diphenylphosphorylphenyl)-4-(3-phenylphenyl)-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine;9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole is O=P(c1ccccc1)(c1ccccc1)c1cccc(-c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3cccc(-c4cccnc4)c3)n2)c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c3)n2)cc1.
What is the InChIKey of 2-(3-diphenylphosphorylphenyl)-4-(3-phenylphenyl)-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine;9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole?
The InChIKey is MZBGKNGOEXIJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N5.C44H31N4OP.C39H26N4/c1-4-14-30(15-5-1)43-46-44(31-16-6-2-7-17-31)48-45(47-43)32-24-26-34(27-25-32)50-38-22-12-10-20-35(38)36-28-29-40-41(42(36)50)37-21-11-13-23-39(37)49(40)33-18-8-3-9-19-33;49-50(39-22-6-2-7-23-39,40-24-8-3-9-25-40)41-26-12-20-37(30-41)44-47-42(35-18-10-16-33(28-35)32-14-4-1-5-15-32)46-43(48-44)36-19-11-17-34(29-36)38-21-13-27-45-31-38;1-3-13-27(14-4-1)37-40-38(28-15-5-2-6-16-28)42-39(41-37)31-19-11-17-29(25-31)30-18-12-20-32(26-30)43-35-23-9-7-21-33(35)34-22-8-10-24-36(34)43/h1-29H;1-31H;1-26H.
What are the key properties of 2-(3-diphenylphosphorylphenyl)-4-(3-phenylphenyl)-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine;9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole?
2-(3-diphenylphosphorylphenyl)-4-(3-phenylphenyl)-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine;9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole has a molecular weight of 1853.16 g/mol, XLogP of 29.94, 18 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-diphenylphosphorylphenyl)-4-(3-phenylphenyl)-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine;9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 159712847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).