9-[4-carbazol-9-yl-6-(6-carbazol-9-yl-3-pyridinyl)pyrimidin-2-yl]carbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole

C96H61N11 — CID 160665734

IUPAC9-[4-carbazol-9-yl-6-(6-carbazol-9-yl-3-pyridinyl)pyrimidin-2-yl]carbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)n2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)cn1
InChIInChI=1S/C51H33N5.C45H28N6/c1-4-14-34(15-5-1)49-52-50(35-16-6-2-7-17-35)54-51(53-49)36-24-28-40(29-25-36)56-46-23-13-11-21-42(46)44-33-38(27-31-48(44)56)37-26-30-47-43(32-37)41-20-10-12-22-45(41)55(47)39-18-8-3-9-19-39;1-7-19-37-30(13-1)31-14-2-8-20-38(31)49(37)43-26-25-29(28-46-43)36-27-44(50-39-21-9-3-15-32(39)33-16-4-10-22-40(33)50)48-45(47-36)51-41-23-11-5-17-34(41)35-18-6-12-24-42(35)51/h1-33H;1-28H
InChIKeyRMGSOYOLLUHWBW-UHFFFAOYSA-N
MW1368.62 g/mol
LogP23.56
Rot. Bonds10

About 9-[4-carbazol-9-yl-6-(6-carbazol-9-yl-3-pyridinyl)pyrimidin-2-yl]carbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole

9-[4-carbazol-9-yl-6-(6-carbazol-9-yl-3-pyridinyl)pyrimidin-2-yl]carbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole (PubChem CID 160665734) has the molecular formula C96H61N11 and a molecular weight of 1368.62 g/mol. Its IUPAC name is 9-[4-carbazol-9-yl-6-(6-carbazol-9-yl-3-pyridinyl)pyrimidin-2-yl]carbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name9-[4-carbazol-9-yl-6-(6-carbazol-9-yl-3-pyridinyl)pyrimidin-2-yl]carbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
PubChem CID160665734
Molecular FormulaC96H61N11
Molecular Weight1368.62 g/mol
Exact Mass1367.51
IUPAC Name9-[4-carbazol-9-yl-6-(6-carbazol-9-yl-3-pyridinyl)pyrimidin-2-yl]carbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)n2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)cn1
InChIInChI=1S/C51H33N5.C45H28N6/c1-4-14-34(15-5-1)49-52-50(35-16-6-2-7-17-35)54-51(53-49)36-24-28-40(29-25-36)56-46-23-13-11-21-42(46)44-33-38(27-31-48(44)56)37-26-30-47-43(32-37)41-20-10-12-22-45(41)55(47)39-18-8-3-9-19-39;1-7-19-37-30(13-1)31-14-2-8-20-38(31)49(37)43-26-25-29(28-46-43)36-27-44(50-39-21-9-3-15-32(39)33-16-4-10-22-40(33)50)48-45(47-36)51-41-23-11-5-17-34(41)35-18-6-12-24-42(35)51/h1-33H;1-28H
InChIKeyRMGSOYOLLUHWBW-UHFFFAOYSA-N
XLogP23.56
TPSA101.99 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001368.62
LogP ≤ 523.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Related Compounds

9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 160861876
9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazole;9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazole;2-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 158761095
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole;7-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 158725620
2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazole;9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazole;2-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 161289745
2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazole
CID 159773020
3-[4-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]-9-phenylcarbazole;3-[4-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]-9-phenylcarbazole;3-[4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]phenyl]-9-phenylcarbazole;3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 159539371
11-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenylindolo[3,2-b]carbazole
CID 118487928
3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 146573156
3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 146573165
9-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]carbazole;9-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]carbazole
CID 160561828
3-[9-(2,6-diphenylpyrimidin-4-yl)-6-phenylcarbazol-3-yl]-6-phenyl-9-(9-phenylcarbazol-3-yl)carbazole
CID 88866627
9-[4-carbazol-9-yl-6-(6-carbazol-9-yl-3-pyridinyl)pyrimidin-2-yl]carbazole;9-[4-carbazol-9-yl-6-[3,5-di(carbazol-9-yl)phenyl]pyrimidin-2-yl]carbazole;9-[2-carbazol-9-yl-6-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]pyrimidin-4-yl]carbazole
CID 160710829

Frequently Asked Questions

What is the IUPAC name of 9-[4-carbazol-9-yl-6-(6-carbazol-9-yl-3-pyridinyl)pyrimidin-2-yl]carbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 9-[4-carbazol-9-yl-6-(6-carbazol-9-yl-3-pyridinyl)pyrimidin-2-yl]carbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole (CID 160665734) is 9-[4-carbazol-9-yl-6-(6-carbazol-9-yl-3-pyridinyl)pyrimidin-2-yl]carbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 9-[4-carbazol-9-yl-6-(6-carbazol-9-yl-3-pyridinyl)pyrimidin-2-yl]carbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 9-[4-carbazol-9-yl-6-(6-carbazol-9-yl-3-pyridinyl)pyrimidin-2-yl]carbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)n2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)cn1.
What is the InChIKey of 9-[4-carbazol-9-yl-6-(6-carbazol-9-yl-3-pyridinyl)pyrimidin-2-yl]carbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is RMGSOYOLLUHWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5.C45H28N6/c1-4-14-34(15-5-1)49-52-50(35-16-6-2-7-17-35)54-51(53-49)36-24-28-40(29-25-36)56-46-23-13-11-21-42(46)44-33-38(27-31-48(44)56)37-26-30-47-43(32-37)41-20-10-12-22-45(41)55(47)39-18-8-3-9-19-39;1-7-19-37-30(13-1)31-14-2-8-20-38(31)49(37)43-26-25-29(28-46-43)36-27-44(50-39-21-9-3-15-32(39)33-16-4-10-22-40(33)50)48-45(47-36)51-41-23-11-5-17-34(41)35-18-6-12-24-42(35)51/h1-33H;1-28H.
What are the key properties of 9-[4-carbazol-9-yl-6-(6-carbazol-9-yl-3-pyridinyl)pyrimidin-2-yl]carbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole?
9-[4-carbazol-9-yl-6-(6-carbazol-9-yl-3-pyridinyl)pyrimidin-2-yl]carbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 1368.62 g/mol, XLogP of 23.56, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-carbazol-9-yl-6-(6-carbazol-9-yl-3-pyridinyl)pyrimidin-2-yl]carbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 160665734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).