2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole

C55H38N4 — CID 154618837

IUPAC2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c6c5Cc5ccccc5-6)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C55H38N4/c1-55(2)47-25-15-14-24-41(47)43-32-45-44-30-37(26-29-49(44)59(50(45)33-48(43)55)38-21-10-5-11-22-38)39-27-28-42(51-40-23-13-12-20-36(40)31-46(39)51)54-57-52(34-16-6-3-7-17-34)56-53(58-54)35-18-8-4-9-19-35/h3-30,32-33H,31H2,1-2H3
InChIKeyUGIYFFOVFICVBZ-UHFFFAOYSA-N
MW754.94 g/mol
LogP13.51
Rot. Bonds5

About 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole

2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole (PubChem CID 154618837) has the molecular formula C55H38N4 and a molecular weight of 754.94 g/mol. Its IUPAC name is 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
PubChem CID154618837
Molecular FormulaC55H38N4
Molecular Weight754.94 g/mol
Exact Mass754.31
IUPAC Name2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c6c5Cc5ccccc5-6)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C55H38N4/c1-55(2)47-25-15-14-24-41(47)43-32-45-44-30-37(26-29-49(44)59(50(45)33-48(43)55)38-21-10-5-11-22-38)39-27-28-42(51-40-23-13-12-20-36(40)31-46(39)51)54-57-52(34-16-6-3-7-17-34)56-53(58-54)35-18-8-4-9-19-35/h3-30,32-33H,31H2,1-2H3
InChIKeyUGIYFFOVFICVBZ-UHFFFAOYSA-N
XLogP13.51
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.94
LogP ≤ 513.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 90335732
2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;5,9-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 157062931
7,7-dimethyl-5-phenyl-2-[4-phenyl-6-(9,9'-spirobi[fluorene]-1-yl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole
CID 90059506
3-(9,9-dimethylfluoren-2-yl)-9-phenyl-6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 145327687
7,7-dimethyl-5-phenyl-2-(4-phenylnaphthalen-1-yl)indeno[2,1-b]carbazole
CID 170395420
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-carbazol-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 130231638
6-(9,9-dimethylfluoren-2-yl)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 145327666
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 87159836
2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-8-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 66797829
7,7-dimethyl-2-(9-phenylcarbazol-3-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole
CID 130209432
7,7-dimethyl-5-[4-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]indeno[2,1-b]carbazole
CID 139342086
7,7-dimethyl-5-phenyl-2-(10-phenylanthracen-9-yl)indeno[2,1-b]carbazole
CID 144609405

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole?
The IUPAC name of 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole (CID 154618837) is 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole.
What is the SMILES notation for 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole?
The canonical SMILES for 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c6c5Cc5ccccc5-6)ccc4n(-c4ccccc4)c3cc21.
What is the InChIKey of 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole?
The InChIKey is UGIYFFOVFICVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N4/c1-55(2)47-25-15-14-24-41(47)43-32-45-44-30-37(26-29-49(44)59(50(45)33-48(43)55)38-21-10-5-11-22-38)39-27-28-42(51-40-23-13-12-20-36(40)31-46(39)51)54-57-52(34-16-6-3-7-17-34)56-53(58-54)35-18-8-4-9-19-35/h3-30,32-33H,31H2,1-2H3.
What are the key properties of 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole?
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole has a molecular weight of 754.94 g/mol, XLogP of 13.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole is sourced from PubChem (CID 154618837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).