5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-naphthalen-1-ylindolo[3,2-c]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole

C102H66N8 — CID 158616236

IUPAC5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-naphthalen-1-ylindolo[3,2-c]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole
SMILESc1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6cccc7ccccc67)c45)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)cc5)c43)c2)cc1
InChIInChI=1S/C52H34N4.C50H32N4/c1-4-15-35(16-5-1)39-21-14-22-41(33-39)56-47-25-12-10-23-42(47)43-31-32-49-50(51(43)56)44-24-11-13-26-48(44)55(49)40-29-27-38(28-30-40)52-53-45(36-17-6-2-7-18-36)34-46(54-52)37-19-8-3-9-20-37;1-3-15-34(16-4-1)42-32-43(52-50(51-42)36-17-5-2-6-18-36)35-26-28-37(29-27-35)53-46-24-12-10-22-41(46)48-47(53)31-30-40-39-21-9-11-23-45(39)54(49(40)48)44-25-13-19-33-14-7-8-20-38(33)44/h1-34H;1-32H
InChIKeyHXKQIUAMIJMWDN-UHFFFAOYSA-N
MW1403.71 g/mol
LogP26.16
Rot. Bonds11

About 5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-naphthalen-1-ylindolo[3,2-c]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole

5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-naphthalen-1-ylindolo[3,2-c]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole (PubChem CID 158616236) has the molecular formula C102H66N8 and a molecular weight of 1403.71 g/mol. Its IUPAC name is 5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-naphthalen-1-ylindolo[3,2-c]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-naphthalen-1-ylindolo[3,2-c]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole
PubChem CID158616236
Molecular FormulaC102H66N8
Molecular Weight1403.71 g/mol
Exact Mass1402.54
IUPAC Name5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-naphthalen-1-ylindolo[3,2-c]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole
SMILESc1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6cccc7ccccc67)c45)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)cc5)c43)c2)cc1
InChIInChI=1S/C52H34N4.C50H32N4/c1-4-15-35(16-5-1)39-21-14-22-41(33-39)56-47-25-12-10-23-42(47)43-31-32-49-50(51(43)56)44-24-11-13-26-48(44)55(49)40-29-27-38(28-30-40)52-53-45(36-17-6-2-7-18-36)34-46(54-52)37-19-8-3-9-20-37;1-3-15-34(16-4-1)42-32-43(52-50(51-42)36-17-5-2-6-18-36)35-26-28-37(29-27-35)53-46-24-12-10-22-41(46)48-47(53)31-30-40-39-21-9-11-23-45(39)54(49(40)48)44-25-13-19-33-14-7-8-20-38(33)44/h1-34H;1-32H
InChIKeyHXKQIUAMIJMWDN-UHFFFAOYSA-N
XLogP26.16
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001403.71
LogP ≤ 526.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-naphthalen-1-ylindolo[3,2-c]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole with MolForge

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Related Compounds

12-naphthalen-1-yl-5-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole;12-(4-phenylphenyl)-5-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 158650044
5-naphthalen-1-yl-12-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]indolo[3,2-c]carbazole;5-(3-phenylphenyl)-12-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole
CID 159221597
12-(4-phenylphenyl)-5-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 155240814
12-phenyl-5-[4-[6-phenyl-2-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole
CID 139496953
12-phenyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole
CID 139496601
12-phenyl-5-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-1-yl]indolo[3,2-c]carbazole;12-phenyl-5-[6-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphthalen-1-yl]indolo[3,2-c]carbazole
CID 161348228
12-(3-phenylphenyl)-5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole
CID 155240321
5-[7-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)naphthalen-2-yl]-12-phenylindolo[3,2-c]carbazole;12-phenyl-5-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]naphthalen-1-yl]indolo[3,2-c]carbazole
CID 160820077
5-naphthalen-1-yl-12-[4-(9-phenylcarbazol-3-yl)phenyl]indolo[3,2-c]carbazole
CID 134168763
12-(3-phenylphenyl)-11-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 121385286
5-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 155240808
12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-25-phenyl-12,25-diazaheptacyclo[15.11.0.02,14.05,13.06,11.018,26.019,24]octacosa-1(17),2(14),3,5(13),6,8,10,15,18(26),19,21,23,27-tridecaene
CID 163838066

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-naphthalen-1-ylindolo[3,2-c]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole?
The IUPAC name of 5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-naphthalen-1-ylindolo[3,2-c]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole (CID 158616236) is 5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-naphthalen-1-ylindolo[3,2-c]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole.
What is the SMILES notation for 5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-naphthalen-1-ylindolo[3,2-c]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole?
The canonical SMILES for 5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-naphthalen-1-ylindolo[3,2-c]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole is c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6cccc7ccccc67)c45)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)cc5)c43)c2)cc1.
What is the InChIKey of 5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-naphthalen-1-ylindolo[3,2-c]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole?
The InChIKey is HXKQIUAMIJMWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4.C50H32N4/c1-4-15-35(16-5-1)39-21-14-22-41(33-39)56-47-25-12-10-23-42(47)43-31-32-49-50(51(43)56)44-24-11-13-26-48(44)55(49)40-29-27-38(28-30-40)52-53-45(36-17-6-2-7-18-36)34-46(54-52)37-19-8-3-9-20-37;1-3-15-34(16-4-1)42-32-43(52-50(51-42)36-17-5-2-6-18-36)35-26-28-37(29-27-35)53-46-24-12-10-22-41(46)48-47(53)31-30-40-39-21-9-11-23-45(39)54(49(40)48)44-25-13-19-33-14-7-8-20-38(33)44/h1-34H;1-32H.
What are the key properties of 5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-naphthalen-1-ylindolo[3,2-c]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole?
5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-naphthalen-1-ylindolo[3,2-c]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole has a molecular weight of 1403.71 g/mol, XLogP of 26.16, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-naphthalen-1-ylindolo[3,2-c]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole is sourced from PubChem (CID 158616236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).