10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]indole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole

C131H85N15 — CID 157300404

IUPAC10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]indole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c4c4ccccc4n5-c4ccccc4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)cc3)n2)cc1
InChIInChI=1S/2C45H29N5.C41H27N5/c1-4-14-30(15-5-1)43-46-44(31-16-6-2-7-17-31)48-45(47-43)32-24-26-34(27-25-32)49-39-23-13-11-21-37(39)41-40(49)29-28-36-35-20-10-12-22-38(35)50(42(36)41)33-18-8-3-9-19-33;1-4-14-30(15-5-1)43-46-44(31-16-6-2-7-17-31)48-45(47-43)32-24-26-34(27-25-32)50-38-22-12-10-20-35(38)36-28-29-40-41(42(36)50)37-21-11-13-23-39(37)49(40)33-18-8-3-9-19-33;1-4-14-28(15-5-1)39-42-40(29-16-6-2-7-17-29)44-41(43-39)30-24-26-32(27-25-30)46-36-23-13-11-21-34(36)37-38(46)33-20-10-12-22-35(33)45(37)31-18-8-3-9-19-31/h2*1-29H;1-27H
InChIKeyBBVJOQYGNAJQSG-UHFFFAOYSA-N
MW1869.23 g/mol
LogP32.05
Rot. Bonds15

About 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]indole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole

10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]indole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole (PubChem CID 157300404) has the molecular formula C131H85N15 and a molecular weight of 1869.23 g/mol. Its IUPAC name is 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]indole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]indole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
PubChem CID157300404
Molecular FormulaC131H85N15
Molecular Weight1869.23 g/mol
Exact Mass1867.71
IUPAC Name10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]indole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c4c4ccccc4n5-c4ccccc4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)cc3)n2)cc1
InChIInChI=1S/2C45H29N5.C41H27N5/c1-4-14-30(15-5-1)43-46-44(31-16-6-2-7-17-31)48-45(47-43)32-24-26-34(27-25-32)49-39-23-13-11-21-37(39)41-40(49)29-28-36-35-20-10-12-22-38(35)50(42(36)41)33-18-8-3-9-19-33;1-4-14-30(15-5-1)43-46-44(31-16-6-2-7-17-31)48-45(47-43)32-24-26-34(27-25-32)50-38-22-12-10-20-35(38)36-28-29-40-41(42(36)50)37-21-11-13-23-39(37)49(40)33-18-8-3-9-19-33;1-4-14-28(15-5-1)39-42-40(29-16-6-2-7-17-29)44-41(43-39)30-24-26-32(27-25-30)46-36-23-13-11-21-34(36)37-38(46)33-20-10-12-22-35(33)45(37)31-18-8-3-9-19-31/h2*1-29H;1-27H
InChIKeyBBVJOQYGNAJQSG-UHFFFAOYSA-N
XLogP32.05
TPSA145.59 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms146
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001869.23
LogP ≤ 532.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]indole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]indole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole?
The IUPAC name of 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]indole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole (CID 157300404) is 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]indole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]indole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]indole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c4c4ccccc4n5-c4ccccc4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)cc3)n2)cc1.
What is the InChIKey of 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]indole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole?
The InChIKey is BBVJOQYGNAJQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C45H29N5.C41H27N5/c1-4-14-30(15-5-1)43-46-44(31-16-6-2-7-17-31)48-45(47-43)32-24-26-34(27-25-32)49-39-23-13-11-21-37(39)41-40(49)29-28-36-35-20-10-12-22-38(35)50(42(36)41)33-18-8-3-9-19-33;1-4-14-30(15-5-1)43-46-44(31-16-6-2-7-17-31)48-45(47-43)32-24-26-34(27-25-32)50-38-22-12-10-20-35(38)36-28-29-40-41(42(36)50)37-21-11-13-23-39(37)49(40)33-18-8-3-9-19-33;1-4-14-28(15-5-1)39-42-40(29-16-6-2-7-17-29)44-41(43-39)30-24-26-32(27-25-30)46-36-23-13-11-21-34(36)37-38(46)33-20-10-12-22-35(33)45(37)31-18-8-3-9-19-31/h2*1-29H;1-27H.
What are the key properties of 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]indole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole?
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]indole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole has a molecular weight of 1869.23 g/mol, XLogP of 32.05, 15 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]indole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 157300404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).