11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydroindolo[3,2-b]carbazole

C61H41N7 — CID 170137926

IUPAC11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydroindolo[3,2-b]carbazole
SMILESC1=Cc2c(n(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c3cc4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)c4cc23)CC1
InChIInChI=1S/C61H41N7/c1-5-18-40(19-6-1)45-26-17-27-46(36-45)60-64-59(44-24-11-4-12-25-44)65-61(66-60)68-55-31-16-14-29-49(55)51-37-56-50(38-57(51)68)48-28-13-15-30-54(48)67(56)47-34-32-42(33-35-47)53-39-52(41-20-7-2-8-21-41)62-58(63-53)43-22-9-3-10-23-43/h1-14,16-29,31-39H,15,30H2
InChIKeyGTAXBJNHPLIUDI-UHFFFAOYSA-N
MW872.05 g/mol
LogP14.66
Rot. Bonds8

About 11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydroindolo[3,2-b]carbazole

11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydroindolo[3,2-b]carbazole (PubChem CID 170137926) has the molecular formula C61H41N7 and a molecular weight of 872.05 g/mol. Its IUPAC name is 11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydroindolo[3,2-b]carbazole.

Molecular Properties

Compound Name11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydroindolo[3,2-b]carbazole
PubChem CID170137926
Molecular FormulaC61H41N7
Molecular Weight872.05 g/mol
Exact Mass871.34
IUPAC Name11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydroindolo[3,2-b]carbazole
SMILESC1=Cc2c(n(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c3cc4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)c4cc23)CC1
InChIInChI=1S/C61H41N7/c1-5-18-40(19-6-1)45-26-17-27-46(36-45)60-64-59(44-24-11-4-12-25-44)65-61(66-60)68-55-31-16-14-29-49(55)51-37-56-50(38-57(51)68)48-28-13-15-30-54(48)67(56)47-34-32-42(33-35-47)53-39-52(41-20-7-2-8-21-41)62-58(63-53)43-22-9-3-10-23-43/h1-14,16-29,31-39H,15,30H2
InChIKeyGTAXBJNHPLIUDI-UHFFFAOYSA-N
XLogP14.66
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500872.05
LogP ≤ 514.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydroindolo[3,2-b]carbazole with MolForge

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Related Compounds

11-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydroindolo[3,2-b]carbazole
CID 170138762
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 67950571
5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenyl-8,9-dihydroindolo[2,3-b]carbazole
CID 149205020
9-[3-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrocarbazole
CID 126627650
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;9-phenyl-3-[9-(4-phenylpyrimidin-2-yl)-7,8-dihydrocarbazol-3-yl]carbazole
CID 161261122
9-[4-[6-(4-bromophenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,2-dihydrocarbazole
CID 146489535
5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 169037226
14-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),18-octaene
CID 170123117
3-[11-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-phenylindolo[2,3-a]carbazol-2-yl]-11-[3-(1,2-dihydrocarbazol-9-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
CID 170317164
5-phenyl-11-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-b]carbazole;5-phenyl-11-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-b]carbazole
CID 158156605
2-[4-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]phenyl]-9-phenylcarbazole;2-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]phenyl]-9-phenylcarbazole;2-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]phenyl]-9-phenylcarbazole
CID 159843994
2-[9-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 163936410

Frequently Asked Questions

What is the IUPAC name of 11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydroindolo[3,2-b]carbazole?
The IUPAC name of 11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydroindolo[3,2-b]carbazole (CID 170137926) is 11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydroindolo[3,2-b]carbazole.
What is the SMILES notation for 11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydroindolo[3,2-b]carbazole?
The canonical SMILES for 11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydroindolo[3,2-b]carbazole is C1=Cc2c(n(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c3cc4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)c4cc23)CC1.
What is the InChIKey of 11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydroindolo[3,2-b]carbazole?
The InChIKey is GTAXBJNHPLIUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41N7/c1-5-18-40(19-6-1)45-26-17-27-46(36-45)60-64-59(44-24-11-4-12-25-44)65-61(66-60)68-55-31-16-14-29-49(55)51-37-56-50(38-57(51)68)48-28-13-15-30-54(48)67(56)47-34-32-42(33-35-47)53-39-52(41-20-7-2-8-21-41)62-58(63-53)43-22-9-3-10-23-43/h1-14,16-29,31-39H,15,30H2.
What are the key properties of 11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydroindolo[3,2-b]carbazole?
11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydroindolo[3,2-b]carbazole has a molecular weight of 872.05 g/mol, XLogP of 14.66, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydroindolo[3,2-b]carbazole is sourced from PubChem (CID 170137926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).