5-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole

C103H63N13 — CID 159211280

IUPAC5-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4nc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)n4)c32)cc1.c1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4nc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)c32)cc1
InChIInChI=1S/C52H32N6.C51H31N7/c1-2-16-33(17-3-1)55-41-24-10-8-22-38(41)39-30-31-47-50(51(39)55)40-23-9-15-29-46(40)58(47)52-53-48(56-42-25-11-4-18-34(42)35-19-5-12-26-43(35)56)32-49(54-52)57-44-27-13-6-20-36(44)37-21-7-14-28-45(37)57;1-2-16-32(17-3-1)55-40-24-10-8-22-37(40)38-30-31-46-47(48(38)55)39-23-9-15-29-45(39)58(46)51-53-49(56-41-25-11-4-18-33(41)34-19-5-12-26-42(34)56)52-50(54-51)57-43-27-13-6-20-35(43)36-21-7-14-28-44(36)57/h1-32H;1-31H
InChIKeyKQNGHRALJZPEFD-UHFFFAOYSA-N
MW1482.73 g/mol
LogP25.12
Rot. Bonds8

About 5-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole

5-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole (PubChem CID 159211280) has the molecular formula C103H63N13 and a molecular weight of 1482.73 g/mol. Its IUPAC name is 5-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole
PubChem CID159211280
Molecular FormulaC103H63N13
Molecular Weight1482.73 g/mol
Exact Mass1481.53
IUPAC Name5-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4nc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)n4)c32)cc1.c1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4nc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)c32)cc1
InChIInChI=1S/C52H32N6.C51H31N7/c1-2-16-33(17-3-1)55-41-24-10-8-22-38(41)39-30-31-47-50(51(39)55)40-23-9-15-29-46(40)58(47)52-53-48(56-42-25-11-4-18-34(42)35-19-5-12-26-43(35)56)32-49(54-52)57-44-27-13-6-20-36(44)37-21-7-14-28-45(37)57;1-2-16-32(17-3-1)55-40-24-10-8-22-37(40)38-30-31-46-47(48(38)55)39-23-9-15-29-45(39)58(46)51-53-49(56-41-25-11-4-18-33(41)34-19-5-12-26-42(34)56)52-50(54-51)57-43-27-13-6-20-35(43)36-21-7-14-28-44(36)57/h1-32H;1-31H
InChIKeyKQNGHRALJZPEFD-UHFFFAOYSA-N
XLogP25.12
TPSA103.89 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001482.73
LogP ≤ 525.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 5-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole with MolForge

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Related Compounds

12-[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 166922873
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
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
7-phenyl-5-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 164990213
12-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole
CID 158439679
5-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 162363120
5-(3-carbazol-9-ylphenyl)-12-[4-phenyl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 88917477
12-phenyl-5-[4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 164799948
9-[2,6-bis[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]pyrimidin-4-yl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole;9-[4,6-bis[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole
CID 158402871
5-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240235
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;5-(4,6-diphenylpyrimidin-2-yl)-12-phenylindolo[3,2-c]carbazole
CID 158138406

Frequently Asked Questions

What is the IUPAC name of 5-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole?
The IUPAC name of 5-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole (CID 159211280) is 5-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 5-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 5-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole is c1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4nc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)n4)c32)cc1.c1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4nc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)c32)cc1.
What is the InChIKey of 5-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole?
The InChIKey is KQNGHRALJZPEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N6.C51H31N7/c1-2-16-33(17-3-1)55-41-24-10-8-22-38(41)39-30-31-47-50(51(39)55)40-23-9-15-29-46(40)58(47)52-53-48(56-42-25-11-4-18-34(42)35-19-5-12-26-43(35)56)32-49(54-52)57-44-27-13-6-20-36(44)37-21-7-14-28-45(37)57;1-2-16-32(17-3-1)55-40-24-10-8-22-37(40)38-30-31-46-47(48(38)55)39-23-9-15-29-45(39)58(46)51-53-49(56-41-25-11-4-18-33(41)34-19-5-12-26-42(34)56)52-50(54-51)57-43-27-13-6-20-35(43)36-21-7-14-28-44(36)57/h1-32H;1-31H.
What are the key properties of 5-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole?
5-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole has a molecular weight of 1482.73 g/mol, XLogP of 25.12, 8 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 159211280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).