6-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole

C101H65N11 — CID 157443985

IUPAC6-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c(-c6ccc7c(c6)c6cccnc6n7-c6ccccc6)cccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c(-c6ccc7c(c6)c6cccnc6n7-c6ccccc6)cccc54)cc3)n2)cc1
InChIInChI=1S/C51H33N5.C50H32N6/c1-4-14-34(15-5-1)44-33-45(35-16-6-2-7-17-35)54-50(53-44)36-25-28-39(29-26-36)55-46-23-11-10-20-42(46)49-40(21-12-24-48(49)55)37-27-30-47-43(32-37)41-22-13-31-52-51(41)56(47)38-18-8-3-9-19-38;1-4-14-33(15-5-1)47-52-48(34-16-6-2-7-17-34)54-49(53-47)35-25-28-38(29-26-35)55-43-23-11-10-20-41(43)46-39(21-12-24-45(46)55)36-27-30-44-42(32-36)40-22-13-31-51-50(40)56(44)37-18-8-3-9-19-37/h1-33H;1-32H
InChIKeyBRZULVSSESHTPE-UHFFFAOYSA-N
MW1432.71 g/mol
LogP24.86
Rot. Bonds12

About 6-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole

6-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole (PubChem CID 157443985) has the molecular formula C101H65N11 and a molecular weight of 1432.71 g/mol. Its IUPAC name is 6-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole.

Molecular Properties

Compound Name6-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole
PubChem CID157443985
Molecular FormulaC101H65N11
Molecular Weight1432.71 g/mol
Exact Mass1431.54
IUPAC Name6-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c(-c6ccc7c(c6)c6cccnc6n7-c6ccccc6)cccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c(-c6ccc7c(c6)c6cccnc6n7-c6ccccc6)cccc54)cc3)n2)cc1
InChIInChI=1S/C51H33N5.C50H32N6/c1-4-14-34(15-5-1)44-33-45(35-16-6-2-7-17-35)54-50(53-44)36-25-28-39(29-26-36)55-46-23-11-10-20-42(46)49-40(21-12-24-48(49)55)37-27-30-47-43(32-37)41-22-13-31-52-51(41)56(47)38-18-8-3-9-19-38;1-4-14-33(15-5-1)47-52-48(34-16-6-2-7-17-34)54-49(53-47)35-25-28-38(29-26-35)55-43-23-11-10-20-41(43)46-39(21-12-24-45(46)55)36-27-30-44-42(32-36)40-22-13-31-51-50(40)56(44)37-18-8-3-9-19-37/h1-33H;1-32H
InChIKeyBRZULVSSESHTPE-UHFFFAOYSA-N
XLogP24.86
TPSA109.95 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms112
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001432.71
LogP ≤ 524.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 6-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole?
The IUPAC name of 6-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole (CID 157443985) is 6-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole.
What is the SMILES notation for 6-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole?
The canonical SMILES for 6-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c(-c6ccc7c(c6)c6cccnc6n7-c6ccccc6)cccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c(-c6ccc7c(c6)c6cccnc6n7-c6ccccc6)cccc54)cc3)n2)cc1.
What is the InChIKey of 6-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole?
The InChIKey is BRZULVSSESHTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5.C50H32N6/c1-4-14-34(15-5-1)44-33-45(35-16-6-2-7-17-35)54-50(53-44)36-25-28-39(29-26-36)55-46-23-11-10-20-42(46)49-40(21-12-24-48(49)55)37-27-30-47-43(32-37)41-22-13-31-52-51(41)56(47)38-18-8-3-9-19-38;1-4-14-33(15-5-1)47-52-48(34-16-6-2-7-17-34)54-49(53-47)35-25-28-38(29-26-35)55-43-23-11-10-20-41(43)46-39(21-12-24-45(46)55)36-27-30-44-42(32-36)40-22-13-31-51-50(40)56(44)37-18-8-3-9-19-37/h1-33H;1-32H.
What are the key properties of 6-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole?
6-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole has a molecular weight of 1432.71 g/mol, XLogP of 24.86, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole is sourced from PubChem (CID 157443985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).