7,7-dimethyl-5-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole

C48H32N4O — CID 169014370

IUPAC7,7-dimethyl-5-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5cc(-c6ccccc6)c6c(c5)oc5ccccc56)n4)c3cc21
InChIInChI=1S/C48H32N4O/c1-48(2)38-22-12-9-19-32(38)36-27-37-33-20-10-13-23-40(33)52(41(37)28-39(36)48)47-50-45(30-17-7-4-8-18-30)49-46(51-47)31-25-35(29-15-5-3-6-16-29)44-34-21-11-14-24-42(34)53-43(44)26-31/h3-28H,1-2H3
InChIKeyZGJNQPQXCBSTKI-UHFFFAOYSA-N
MW680.81 g/mol
LogP12.18
Rot. Bonds4

About 7,7-dimethyl-5-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole

7,7-dimethyl-5-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole (PubChem CID 169014370) has the molecular formula C48H32N4O and a molecular weight of 680.81 g/mol. Its IUPAC name is 7,7-dimethyl-5-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole.

Molecular Properties

Compound Name7,7-dimethyl-5-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole
PubChem CID169014370
Molecular FormulaC48H32N4O
Molecular Weight680.81 g/mol
Exact Mass680.26
IUPAC Name7,7-dimethyl-5-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5cc(-c6ccccc6)c6c(c5)oc5ccccc56)n4)c3cc21
InChIInChI=1S/C48H32N4O/c1-48(2)38-22-12-9-19-32(38)36-27-37-33-20-10-13-23-40(33)52(41(37)28-39(36)48)47-50-45(30-17-7-4-8-18-30)49-46(51-47)31-25-35(29-15-5-3-6-16-29)44-34-21-11-14-24-42(34)53-43(44)26-31/h3-28H,1-2H3
InChIKeyZGJNQPQXCBSTKI-UHFFFAOYSA-N
XLogP12.18
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.81
LogP ≤ 512.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5'-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]
CID 169015039
11,11-dimethyl-5-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indeno[1,2-b]carbazole
CID 169014548
5-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 130327260
5-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;ethane
CID 145017062
5-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 166914017
5-[4-dibenzofuran-3-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 169014138
5-[6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 145017206
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
2-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 66804832
2-[4-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 162775179
5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;methane
CID 160846132
2-dibenzofuran-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 66797844

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole?
The IUPAC name of 7,7-dimethyl-5-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole (CID 169014370) is 7,7-dimethyl-5-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole.
What is the SMILES notation for 7,7-dimethyl-5-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole?
The canonical SMILES for 7,7-dimethyl-5-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5cc(-c6ccccc6)c6c(c5)oc5ccccc56)n4)c3cc21.
What is the InChIKey of 7,7-dimethyl-5-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole?
The InChIKey is ZGJNQPQXCBSTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N4O/c1-48(2)38-22-12-9-19-32(38)36-27-37-33-20-10-13-23-40(33)52(41(37)28-39(36)48)47-50-45(30-17-7-4-8-18-30)49-46(51-47)31-25-35(29-15-5-3-6-16-29)44-34-21-11-14-24-42(34)53-43(44)26-31/h3-28H,1-2H3.
What are the key properties of 7,7-dimethyl-5-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole?
7,7-dimethyl-5-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole has a molecular weight of 680.81 g/mol, XLogP of 12.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole is sourced from PubChem (CID 169014370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).