12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(1,1,3,3-tetramethyl-2H-inden-4-yl)indolo[2,3-a]carbazole

C46H37N5 — CID 167267748

IUPAC12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(1,1,3,3-tetramethyl-2H-inden-4-yl)indolo[2,3-a]carbazole
SMILESCC1(C)CC(C)(C)c2c(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c43)cccc21
InChIInChI=1S/C46H37N5/c1-45(2)28-46(3,4)39-35(45)22-15-25-38(39)50-36-23-13-11-20-31(36)33-26-27-34-32-21-12-14-24-37(32)51(41(34)40(33)50)44-48-42(29-16-7-5-8-17-29)47-43(49-44)30-18-9-6-10-19-30/h5-27H,28H2,1-4H3
InChIKeyGFZAAJBHAFPJNF-UHFFFAOYSA-N
MW659.84 g/mol
LogP11.36
Rot. Bonds4

About 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(1,1,3,3-tetramethyl-2H-inden-4-yl)indolo[2,3-a]carbazole

12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(1,1,3,3-tetramethyl-2H-inden-4-yl)indolo[2,3-a]carbazole (PubChem CID 167267748) has the molecular formula C46H37N5 and a molecular weight of 659.84 g/mol. Its IUPAC name is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(1,1,3,3-tetramethyl-2H-inden-4-yl)indolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(1,1,3,3-tetramethyl-2H-inden-4-yl)indolo[2,3-a]carbazole
PubChem CID167267748
Molecular FormulaC46H37N5
Molecular Weight659.84 g/mol
Exact Mass659.30
IUPAC Name12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(1,1,3,3-tetramethyl-2H-inden-4-yl)indolo[2,3-a]carbazole
SMILESCC1(C)CC(C)(C)c2c(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c43)cccc21
InChIInChI=1S/C46H37N5/c1-45(2)28-46(3,4)39-35(45)22-15-25-38(39)50-36-23-13-11-20-31(36)33-26-27-34-32-21-12-14-24-37(32)51(41(34)40(33)50)44-48-42(29-16-7-5-8-17-29)47-43(49-44)30-18-9-6-10-19-30/h5-27H,28H2,1-4H3
InChIKeyGFZAAJBHAFPJNF-UHFFFAOYSA-N
XLogP11.36
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.84
LogP ≤ 511.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-(5,5,7,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)phenyl]indolo[2,3-a]carbazole
CID 167268785
12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-[4-(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]phenyl]indolo[2,3-a]carbazole
CID 167268675
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-naphthalen-1-ylindolo[2,3-a]carbazole
CID 138623523
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)phenyl]indolo[2,3-a]carbazole
CID 167268786
5-[4-(3-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)indolo[2,3-b]carbazole
CID 167268436
5-[4-(2-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)indolo[2,3-b]carbazole
CID 167268454
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;ethane
CID 160718098
5-(9,9-dimethylfluoren-4-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]indole
CID 129174065
6,31-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene
CID 88949841
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-(6-phenyl-2-pyridinyl)phenyl]indolo[2,3-a]carbazole
CID 169037362
12-[4-(2-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-[2-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)phenyl]indolo[2,3-a]carbazole
CID 167267925
12-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-[2-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 165165638

Frequently Asked Questions

What is the IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(1,1,3,3-tetramethyl-2H-inden-4-yl)indolo[2,3-a]carbazole?
The IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(1,1,3,3-tetramethyl-2H-inden-4-yl)indolo[2,3-a]carbazole (CID 167267748) is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(1,1,3,3-tetramethyl-2H-inden-4-yl)indolo[2,3-a]carbazole.
What is the SMILES notation for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(1,1,3,3-tetramethyl-2H-inden-4-yl)indolo[2,3-a]carbazole?
The canonical SMILES for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(1,1,3,3-tetramethyl-2H-inden-4-yl)indolo[2,3-a]carbazole is CC1(C)CC(C)(C)c2c(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c43)cccc21.
What is the InChIKey of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(1,1,3,3-tetramethyl-2H-inden-4-yl)indolo[2,3-a]carbazole?
The InChIKey is GFZAAJBHAFPJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H37N5/c1-45(2)28-46(3,4)39-35(45)22-15-25-38(39)50-36-23-13-11-20-31(36)33-26-27-34-32-21-12-14-24-37(32)51(41(34)40(33)50)44-48-42(29-16-7-5-8-17-29)47-43(49-44)30-18-9-6-10-19-30/h5-27H,28H2,1-4H3.
What are the key properties of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(1,1,3,3-tetramethyl-2H-inden-4-yl)indolo[2,3-a]carbazole?
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(1,1,3,3-tetramethyl-2H-inden-4-yl)indolo[2,3-a]carbazole has a molecular weight of 659.84 g/mol, XLogP of 11.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(1,1,3,3-tetramethyl-2H-inden-4-yl)indolo[2,3-a]carbazole is sourced from PubChem (CID 167267748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).