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

C45H26N4OS — CID 166952650

IUPAC9-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccc4sc5c(-n6c7ccccc7c7ccccc76)cccc5c4c3)nc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C45H26N4OS/c1-2-12-27(13-3-1)43-46-44(48-45(47-43)34-19-10-17-32-31-16-6-9-23-39(31)50-41(32)34)28-24-25-40-35(26-28)33-18-11-22-38(42(33)51-40)49-36-20-7-4-14-29(36)30-15-5-8-21-37(30)49/h1-26H
InChIKeyYKJVCWHILQPNKN-UHFFFAOYSA-N
MW670.80 g/mol
LogP12.24
Rot. Bonds4

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

9-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazole (PubChem CID 166952650) has the molecular formula C45H26N4OS and a molecular weight of 670.80 g/mol. Its IUPAC name is 9-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazole.

Molecular Properties

Compound Name9-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazole
PubChem CID166952650
Molecular FormulaC45H26N4OS
Molecular Weight670.80 g/mol
Exact Mass670.18
IUPAC Name9-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccc4sc5c(-n6c7ccccc7c7ccccc76)cccc5c4c3)nc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C45H26N4OS/c1-2-12-27(13-3-1)43-46-44(48-45(47-43)34-19-10-17-32-31-16-6-9-23-39(31)50-41(32)34)28-24-25-40-35(26-28)33-18-11-22-38(42(33)51-40)49-36-20-7-4-14-29(36)30-15-5-8-21-37(30)49/h1-26H
InChIKeyYKJVCWHILQPNKN-UHFFFAOYSA-N
XLogP12.24
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.80
LogP ≤ 512.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazole
CID 90211464
9-[8-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzofuran-1-yl]carbazole
CID 169011294
2-dibenzofuran-4-yl-4-phenyl-6-[8-(4-phenylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine
CID 170362985
2-(6-dibenzofuran-4-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(2,8-diphenyldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(6,8-diphenyldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[8-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine;9-[6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 163425573
9-[2-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 147508065
9-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]carbazole
CID 166952583
9-[2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]carbazole
CID 176607540
9-[6-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzothiophen-2-yl]carbazole
CID 169011085
9-dibenzofuran-4-yl-3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]carbazole
CID 154601825
9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]carbazole
CID 169011326
9-[8-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]dibenzofuran-4-yl]carbazole
CID 169011254
9-[16-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-5-yl]carbazole
CID 146664357

Frequently Asked Questions

What is the IUPAC name of 9-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazole?
The IUPAC name of 9-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazole (CID 166952650) is 9-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazole.
What is the SMILES notation for 9-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazole?
The canonical SMILES for 9-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazole is c1ccc(-c2nc(-c3ccc4sc5c(-n6c7ccccc7c7ccccc76)cccc5c4c3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.
What is the InChIKey of 9-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazole?
The InChIKey is YKJVCWHILQPNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26N4OS/c1-2-12-27(13-3-1)43-46-44(48-45(47-43)34-19-10-17-32-31-16-6-9-23-39(31)50-41(32)34)28-24-25-40-35(26-28)33-18-11-22-38(42(33)51-40)49-36-20-7-4-14-29(36)30-15-5-8-21-37(30)49/h1-26H.
What are the key properties of 9-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazole?
9-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazole has a molecular weight of 670.80 g/mol, XLogP of 12.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazole is sourced from PubChem (CID 166952650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).