1-dibenzothiophen-3-yl-9-[4-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole

C48H34N4S — CID 149201832

IUPAC1-dibenzothiophen-3-yl-9-[4-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
SMILESCC1(C)C2=C(C=CCC2)c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5cccc(-c6ccc7c(c6)sc6ccccc67)c54)n3)cc21
InChIInChI=1S/C48H34N4S/c1-48(2)39-20-9-6-15-33(39)34-25-24-31(27-40(34)48)46-49-45(29-13-4-3-5-14-29)50-47(51-46)52-41-21-10-7-16-35(41)38-19-12-18-32(44(38)52)30-23-26-37-36-17-8-11-22-42(36)53-43(37)28-30/h3-8,10-19,21-28H,9,20H2,1-2H3
InChIKeyXEVOUFBIWATBNC-UHFFFAOYSA-N
MW698.90 g/mol
LogP12.73
Rot. Bonds4

About 1-dibenzothiophen-3-yl-9-[4-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole

1-dibenzothiophen-3-yl-9-[4-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole (PubChem CID 149201832) has the molecular formula C48H34N4S and a molecular weight of 698.90 g/mol. Its IUPAC name is 1-dibenzothiophen-3-yl-9-[4-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name1-dibenzothiophen-3-yl-9-[4-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
PubChem CID149201832
Molecular FormulaC48H34N4S
Molecular Weight698.90 g/mol
Exact Mass698.25
IUPAC Name1-dibenzothiophen-3-yl-9-[4-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
SMILESCC1(C)C2=C(C=CCC2)c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5cccc(-c6ccc7c(c6)sc6ccccc67)c54)n3)cc21
InChIInChI=1S/C48H34N4S/c1-48(2)39-20-9-6-15-33(39)34-25-24-31(27-40(34)48)46-49-45(29-13-4-3-5-14-29)50-47(51-46)52-41-21-10-7-16-35(41)38-19-12-18-32(44(38)52)30-23-26-37-36-17-8-11-22-42(36)53-43(37)28-30/h3-8,10-19,21-28H,9,20H2,1-2H3
InChIKeyXEVOUFBIWATBNC-UHFFFAOYSA-N
XLogP12.73
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.90
LogP ≤ 512.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-dibenzothiophen-1-yl-9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 163668654
5-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-8,9-dihydroindeno[2,1-b]carbazole
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11-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[2,1-a]carbazole;11-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[2,1-a]carbazole;11-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-12,12-dimethylindeno[2,1-a]carbazole;12,12-dimethyl-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-a]carbazole
CID 158684626
7-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-b]carbazole;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-b]carbazole;7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-b]carbazole
CID 159655404
9-[4-(3-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 146572632
12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(2,5-diphenylphenyl)indolo[2,3-a]carbazole
CID 165165480
12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 134168913
1-dibenzothiophen-3-yl-9-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
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6-dibenzofuran-4-yl-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-(3-dibenzothiophen-3-ylphenyl)carbazole
CID 163840544
11-[4-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)-6-phenyl-1,3,5-triazin-2-yl]-12-phenyl-12,13-dihydronaphtho[2,1-a]carbazole
CID 167289304
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-(9,9-dimethylfluoren-2-yl)carbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-9-phenylcarbazole;1-(9-phenylcarbazol-2-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 157295181
5-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 169014751

Frequently Asked Questions

What is the IUPAC name of 1-dibenzothiophen-3-yl-9-[4-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 1-dibenzothiophen-3-yl-9-[4-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole (CID 149201832) is 1-dibenzothiophen-3-yl-9-[4-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 1-dibenzothiophen-3-yl-9-[4-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 1-dibenzothiophen-3-yl-9-[4-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole is CC1(C)C2=C(C=CCC2)c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5cccc(-c6ccc7c(c6)sc6ccccc67)c54)n3)cc21.
What is the InChIKey of 1-dibenzothiophen-3-yl-9-[4-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole?
The InChIKey is XEVOUFBIWATBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N4S/c1-48(2)39-20-9-6-15-33(39)34-25-24-31(27-40(34)48)46-49-45(29-13-4-3-5-14-29)50-47(51-46)52-41-21-10-7-16-35(41)38-19-12-18-32(44(38)52)30-23-26-37-36-17-8-11-22-42(36)53-43(37)28-30/h3-8,10-19,21-28H,9,20H2,1-2H3.
What are the key properties of 1-dibenzothiophen-3-yl-9-[4-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole?
1-dibenzothiophen-3-yl-9-[4-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole has a molecular weight of 698.90 g/mol, XLogP of 12.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzothiophen-3-yl-9-[4-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 149201832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).