8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6-diphenyl-5-(4-phenylphenyl)indeno[2,1-b]indole

C54H36N4 — CID 129290230

IUPAC8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6-diphenyl-5-(4-phenylphenyl)indeno[2,1-b]indole
SMILESc1ccc(-c2ccc(-n3c4c(c5ccccc53)-c3ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc3C4(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C54H36N4/c1-6-18-37(19-7-1)38-30-33-44(34-31-38)58-48-29-17-16-28-46(48)49-45-35-32-41(36-47(45)54(50(49)58,42-24-12-4-13-25-42)43-26-14-5-15-27-43)53-56-51(39-20-8-2-9-21-39)55-52(57-53)40-22-10-3-11-23-40/h1-36H
InChIKeyMEFUQKBRWWQSTQ-UHFFFAOYSA-N
MW740.91 g/mol
LogP12.85
Rot. Bonds7

About 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6-diphenyl-5-(4-phenylphenyl)indeno[2,1-b]indole

8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6-diphenyl-5-(4-phenylphenyl)indeno[2,1-b]indole (PubChem CID 129290230) has the molecular formula C54H36N4 and a molecular weight of 740.91 g/mol. Its IUPAC name is 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6-diphenyl-5-(4-phenylphenyl)indeno[2,1-b]indole.

Molecular Properties

Compound Name8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6-diphenyl-5-(4-phenylphenyl)indeno[2,1-b]indole
PubChem CID129290230
Molecular FormulaC54H36N4
Molecular Weight740.91 g/mol
Exact Mass740.29
IUPAC Name8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6-diphenyl-5-(4-phenylphenyl)indeno[2,1-b]indole
SMILESc1ccc(-c2ccc(-n3c4c(c5ccccc53)-c3ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc3C4(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C54H36N4/c1-6-18-37(19-7-1)38-30-33-44(34-31-38)58-48-29-17-16-28-46(48)49-45-35-32-41(36-47(45)54(50(49)58,42-24-12-4-13-25-42)43-26-14-5-15-27-43)53-56-51(39-20-8-2-9-21-39)55-52(57-53)40-22-10-3-11-23-40/h1-36H
InChIKeyMEFUQKBRWWQSTQ-UHFFFAOYSA-N
XLogP12.85
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.91
LogP ≤ 512.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-[4-(9,9-diphenylfluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 126543721
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
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenylindeno[1,2-b]indole
CID 90296243
9-phenyl-2-[4-phenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 149374093
9-[4-[4-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole
CID 167257276
9-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 122425259
9-[4-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 59779621
9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 139306362
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-[3-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole
CID 129265297
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole
CID 70934602
2-[7-(3,5-diphenylphenyl)-9,9-diphenylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 170441832

Frequently Asked Questions

What is the IUPAC name of 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6-diphenyl-5-(4-phenylphenyl)indeno[2,1-b]indole?
The IUPAC name of 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6-diphenyl-5-(4-phenylphenyl)indeno[2,1-b]indole (CID 129290230) is 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6-diphenyl-5-(4-phenylphenyl)indeno[2,1-b]indole.
What is the SMILES notation for 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6-diphenyl-5-(4-phenylphenyl)indeno[2,1-b]indole?
The canonical SMILES for 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6-diphenyl-5-(4-phenylphenyl)indeno[2,1-b]indole is c1ccc(-c2ccc(-n3c4c(c5ccccc53)-c3ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc3C4(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6-diphenyl-5-(4-phenylphenyl)indeno[2,1-b]indole?
The InChIKey is MEFUQKBRWWQSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N4/c1-6-18-37(19-7-1)38-30-33-44(34-31-38)58-48-29-17-16-28-46(48)49-45-35-32-41(36-47(45)54(50(49)58,42-24-12-4-13-25-42)43-26-14-5-15-27-43)53-56-51(39-20-8-2-9-21-39)55-52(57-53)40-22-10-3-11-23-40/h1-36H.
What are the key properties of 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6-diphenyl-5-(4-phenylphenyl)indeno[2,1-b]indole?
8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6-diphenyl-5-(4-phenylphenyl)indeno[2,1-b]indole has a molecular weight of 740.91 g/mol, XLogP of 12.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6-diphenyl-5-(4-phenylphenyl)indeno[2,1-b]indole is sourced from PubChem (CID 129290230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).