[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethyl-9-phenylindeno[1,2-b]carbazol-2-yl]-phenylmethanone

C49H34N4O — CID 67472104

IUPAC[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethyl-9-phenylindeno[1,2-b]carbazol-2-yl]-phenylmethanone
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2cc3c(cc21)c1cc(C(=O)c2ccccc2)ccc1n3-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C49H34N4O/c1-49(2)41-28-35(31-15-7-3-8-16-31)23-25-37(41)38-30-44-40(29-42(38)49)39-27-36(45(54)32-17-9-4-10-18-32)24-26-43(39)53(44)48-51-46(33-19-11-5-12-20-33)50-47(52-48)34-21-13-6-14-22-34/h3-30H,1-2H3
InChIKeyDOMLIJPLFFMDQD-UHFFFAOYSA-N
MW694.84 g/mol
LogP11.51
Rot. Bonds6

About [5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethyl-9-phenylindeno[1,2-b]carbazol-2-yl]-phenylmethanone

[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethyl-9-phenylindeno[1,2-b]carbazol-2-yl]-phenylmethanone (PubChem CID 67472104) has the molecular formula C49H34N4O and a molecular weight of 694.84 g/mol. Its IUPAC name is [5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethyl-9-phenylindeno[1,2-b]carbazol-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethyl-9-phenylindeno[1,2-b]carbazol-2-yl]-phenylmethanone
PubChem CID67472104
Molecular FormulaC49H34N4O
Molecular Weight694.84 g/mol
Exact Mass694.27
IUPAC Name[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethyl-9-phenylindeno[1,2-b]carbazol-2-yl]-phenylmethanone
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2cc3c(cc21)c1cc(C(=O)c2ccccc2)ccc1n3-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C49H34N4O/c1-49(2)41-28-35(31-15-7-3-8-16-31)23-25-37(41)38-30-44-40(29-42(38)49)39-27-36(45(54)32-17-9-4-10-18-32)24-26-43(39)53(44)48-51-46(33-19-11-5-12-20-33)50-47(52-48)34-21-13-6-14-22-34/h3-30H,1-2H3
InChIKeyDOMLIJPLFFMDQD-UHFFFAOYSA-N
XLogP11.51
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.84
LogP ≤ 511.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
phenyl-[4-[4-phenyl-6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]methanone
CID 121276664
3-(9,9-dimethylfluoren-2-yl)-9-phenyl-6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 145327687
5-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;5-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole;5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
CID 159343293
9-[4-(9,9-dimethylfluoren-2-yl)-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole
CID 168742742
6-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-diphenylcarbazole
CID 118052543
9-[4-carbazol-9-yl-6-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 168742539
9-dibenzofuran-4-yl-11,11-dimethyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[1,2-b]carbazole
CID 130209419
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
2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 163493770
6-(9,9-dimethylfluoren-2-yl)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 145327666
9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenylcarbazole
CID 158012983

Frequently Asked Questions

What is the IUPAC name of [5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethyl-9-phenylindeno[1,2-b]carbazol-2-yl]-phenylmethanone?
The IUPAC name of [5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethyl-9-phenylindeno[1,2-b]carbazol-2-yl]-phenylmethanone (CID 67472104) is [5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethyl-9-phenylindeno[1,2-b]carbazol-2-yl]-phenylmethanone.
What is the SMILES notation for [5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethyl-9-phenylindeno[1,2-b]carbazol-2-yl]-phenylmethanone?
The canonical SMILES for [5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethyl-9-phenylindeno[1,2-b]carbazol-2-yl]-phenylmethanone is CC1(C)c2cc(-c3ccccc3)ccc2-c2cc3c(cc21)c1cc(C(=O)c2ccccc2)ccc1n3-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of [5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethyl-9-phenylindeno[1,2-b]carbazol-2-yl]-phenylmethanone?
The InChIKey is DOMLIJPLFFMDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N4O/c1-49(2)41-28-35(31-15-7-3-8-16-31)23-25-37(41)38-30-44-40(29-42(38)49)39-27-36(45(54)32-17-9-4-10-18-32)24-26-43(39)53(44)48-51-46(33-19-11-5-12-20-33)50-47(52-48)34-21-13-6-14-22-34/h3-30H,1-2H3.
What are the key properties of [5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethyl-9-phenylindeno[1,2-b]carbazol-2-yl]-phenylmethanone?
[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethyl-9-phenylindeno[1,2-b]carbazol-2-yl]-phenylmethanone has a molecular weight of 694.84 g/mol, XLogP of 11.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethyl-9-phenylindeno[1,2-b]carbazol-2-yl]-phenylmethanone is sourced from PubChem (CID 67472104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).