5,10-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]indole;5-(9,9-diphenylfluoren-2-yl)-10,10-diphenylindeno[1,2-b]indole;5'-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]spiro[fluorene-9,10'-indeno[1,2-b]indole]

C150H97N13 — CID 159515006

IUPAC5,10-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]indole;5-(9,9-diphenylfluoren-2-yl)-10,10-diphenylindeno[1,2-b]indole;5'-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]spiro[fluorene-9,10'-indeno[1,2-b]indole]
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-n5c6c(c7ccccc75)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c3c3ccccc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)n2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-n4c5c(c6ccccc64)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc32)cc1
InChIInChI=1S/C54H34N4.C52H35N.C44H28N8/c1-3-16-36(17-4-1)51-55-52(37-18-5-2-6-19-37)57-53(56-51)39-21-15-20-38(34-39)35-30-32-40(33-31-35)58-48-29-14-10-25-44(48)49-50(58)43-24-9-13-28-47(43)54(49)45-26-11-7-22-41(45)42-23-8-12-27-46(42)54;1-5-19-36(20-6-1)51(37-21-7-2-8-22-37)45-30-16-13-27-41(45)42-34-33-40(35-47(42)51)53-48-32-18-15-29-44(48)49-50(53)43-28-14-17-31-46(43)52(49,38-23-9-3-10-24-38)39-25-11-4-12-26-39;1-5-17-29(18-6-1)39-45-40(30-19-7-2-8-20-30)48-43(47-39)51-35-27-15-13-25-33(35)38-37(51)34-26-14-16-28-36(34)52(38)44-49-41(31-21-9-3-10-22-31)46-42(50-44)32-23-11-4-12-24-32/h1-34H;1-35H;1-28H
InChIKeyMBBPFLRKYSPLOA-UHFFFAOYSA-N
MW2081.52 g/mol
LogP34.95
Rot. Bonds16

About 5,10-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]indole;5-(9,9-diphenylfluoren-2-yl)-10,10-diphenylindeno[1,2-b]indole;5'-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]spiro[fluorene-9,10'-indeno[1,2-b]indole]

5,10-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]indole;5-(9,9-diphenylfluoren-2-yl)-10,10-diphenylindeno[1,2-b]indole;5'-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]spiro[fluorene-9,10'-indeno[1,2-b]indole] (PubChem CID 159515006) has the molecular formula C150H97N13 and a molecular weight of 2081.52 g/mol. Its IUPAC name is 5,10-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]indole;5-(9,9-diphenylfluoren-2-yl)-10,10-diphenylindeno[1,2-b]indole;5'-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]spiro[fluorene-9,10'-indeno[1,2-b]indole].

Molecular Properties

Compound Name5,10-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]indole;5-(9,9-diphenylfluoren-2-yl)-10,10-diphenylindeno[1,2-b]indole;5'-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]spiro[fluorene-9,10'-indeno[1,2-b]indole]
PubChem CID159515006
Molecular FormulaC150H97N13
Molecular Weight2081.52 g/mol
Exact Mass2079.80
IUPAC Name5,10-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]indole;5-(9,9-diphenylfluoren-2-yl)-10,10-diphenylindeno[1,2-b]indole;5'-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]spiro[fluorene-9,10'-indeno[1,2-b]indole]
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-n5c6c(c7ccccc75)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c3c3ccccc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)n2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-n4c5c(c6ccccc64)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc32)cc1
InChIInChI=1S/C54H34N4.C52H35N.C44H28N8/c1-3-16-36(17-4-1)51-55-52(37-18-5-2-6-19-37)57-53(56-51)39-21-15-20-38(34-39)35-30-32-40(33-31-35)58-48-29-14-10-25-44(48)49-50(58)43-24-9-13-28-47(43)54(49)45-26-11-7-22-41(45)42-23-8-12-27-46(42)54;1-5-19-36(20-6-1)51(37-21-7-2-8-22-37)45-30-16-13-27-41(45)42-34-33-40(35-47(42)51)53-48-32-18-15-29-44(48)49-50(53)43-28-14-17-31-46(43)52(49,38-23-9-3-10-24-38)39-25-11-4-12-26-39;1-5-17-29(18-6-1)39-45-40(30-19-7-2-8-20-30)48-43(47-39)51-35-27-15-13-25-33(35)38-37(51)34-26-14-16-28-36(34)52(38)44-49-41(31-21-9-3-10-22-31)46-42(50-44)32-23-11-4-12-24-32/h1-34H;1-35H;1-28H
InChIKeyMBBPFLRKYSPLOA-UHFFFAOYSA-N
XLogP34.95
TPSA135.73 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002081.52
LogP ≤ 534.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 5,10-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]indole;5-(9,9-diphenylfluoren-2-yl)-10,10-diphenylindeno[1,2-b]indole;5'-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]spiro[fluorene-9,10'-indeno[1,2-b]indole] with MolForge

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Related Compounds

12-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 169037030
12-[4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 169037543
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenylindeno[1,2-b]indole
CID 90296243
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-diphenylindeno[2,1-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,12,12-triphenylindeno[2,1-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,12,12-triphenylindeno[2,1-a]carbazole
CID 158116203
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,12,12-triphenylindeno[2,1-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,12,12-triphenylindeno[2,1-a]carbazole
CID 161266285
12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 88886982
9-[2-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-yl]carbazole
CID 88887022
8-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenylindeno[1,2-b]indole
CID 90296256
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,7,7-triphenylindeno[2,1-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,7,7-triphenylindeno[2,1-b]carbazole
CID 165028422
12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7'-(11-phenylindolo[2,3-a]carbazol-12-yl)-9,9'-spirobi[fluorene]-2'-yl]-11-phenylindolo[2,3-a]carbazole
CID 88886983
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazol-6-yl]-9,11,11-triphenylindeno[1,2-b]carbazole
CID 138744160
12,12-bis(3,5-diphenylphenyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole
CID 58142117

Frequently Asked Questions

What is the IUPAC name of 5,10-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]indole;5-(9,9-diphenylfluoren-2-yl)-10,10-diphenylindeno[1,2-b]indole;5'-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]spiro[fluorene-9,10'-indeno[1,2-b]indole]?
The IUPAC name of 5,10-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]indole;5-(9,9-diphenylfluoren-2-yl)-10,10-diphenylindeno[1,2-b]indole;5'-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]spiro[fluorene-9,10'-indeno[1,2-b]indole] (CID 159515006) is 5,10-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]indole;5-(9,9-diphenylfluoren-2-yl)-10,10-diphenylindeno[1,2-b]indole;5'-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]spiro[fluorene-9,10'-indeno[1,2-b]indole].
What is the SMILES notation for 5,10-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]indole;5-(9,9-diphenylfluoren-2-yl)-10,10-diphenylindeno[1,2-b]indole;5'-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]spiro[fluorene-9,10'-indeno[1,2-b]indole]?
The canonical SMILES for 5,10-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]indole;5-(9,9-diphenylfluoren-2-yl)-10,10-diphenylindeno[1,2-b]indole;5'-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]spiro[fluorene-9,10'-indeno[1,2-b]indole] is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-n5c6c(c7ccccc75)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c3c3ccccc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)n2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-n4c5c(c6ccccc64)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc32)cc1.
What is the InChIKey of 5,10-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]indole;5-(9,9-diphenylfluoren-2-yl)-10,10-diphenylindeno[1,2-b]indole;5'-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]spiro[fluorene-9,10'-indeno[1,2-b]indole]?
The InChIKey is MBBPFLRKYSPLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N4.C52H35N.C44H28N8/c1-3-16-36(17-4-1)51-55-52(37-18-5-2-6-19-37)57-53(56-51)39-21-15-20-38(34-39)35-30-32-40(33-31-35)58-48-29-14-10-25-44(48)49-50(58)43-24-9-13-28-47(43)54(49)45-26-11-7-22-41(45)42-23-8-12-27-46(42)54;1-5-19-36(20-6-1)51(37-21-7-2-8-22-37)45-30-16-13-27-41(45)42-34-33-40(35-47(42)51)53-48-32-18-15-29-44(48)49-50(53)43-28-14-17-31-46(43)52(49,38-23-9-3-10-24-38)39-25-11-4-12-26-39;1-5-17-29(18-6-1)39-45-40(30-19-7-2-8-20-30)48-43(47-39)51-35-27-15-13-25-33(35)38-37(51)34-26-14-16-28-36(34)52(38)44-49-41(31-21-9-3-10-22-31)46-42(50-44)32-23-11-4-12-24-32/h1-34H;1-35H;1-28H.
What are the key properties of 5,10-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]indole;5-(9,9-diphenylfluoren-2-yl)-10,10-diphenylindeno[1,2-b]indole;5'-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]spiro[fluorene-9,10'-indeno[1,2-b]indole]?
5,10-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]indole;5-(9,9-diphenylfluoren-2-yl)-10,10-diphenylindeno[1,2-b]indole;5'-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]spiro[fluorene-9,10'-indeno[1,2-b]indole] has a molecular weight of 2081.52 g/mol, XLogP of 34.95, 16 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]indole;5-(9,9-diphenylfluoren-2-yl)-10,10-diphenylindeno[1,2-b]indole;5'-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]spiro[fluorene-9,10'-indeno[1,2-b]indole] is sourced from PubChem (CID 159515006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).