4-carbazol-9-yl-9-[3-(6-dibenzothiophen-3-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)-4-phenylphenyl]carbazole

C57H37N5S — CID 170097785

IUPAC4-carbazol-9-yl-9-[3-(6-dibenzothiophen-3-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)-4-phenylphenyl]carbazole
SMILESc1ccc(C2=NC(c3cc(-n4c5ccccc5c5c(-n6c7ccccc7c7ccccc76)cccc54)ccc3-c3ccccc3)NC(c3ccc4c(c3)sc3ccccc34)=N2)cc1
InChIInChI=1S/C57H37N5S/c1-3-16-36(17-4-1)40-33-31-39(61-49-26-13-9-23-45(49)54-50(61)27-15-28-51(54)62-47-24-11-7-20-41(47)42-21-8-12-25-48(42)62)35-46(40)57-59-55(37-18-5-2-6-19-37)58-56(60-57)38-30-32-44-43-22-10-14-29-52(43)63-53(44)34-38/h1-35,57H,(H,58,59,60)
InChIKeyLEFVZWQKVUMUEA-UHFFFAOYSA-N
MW824.02 g/mol
LogP14.41
Rot. Bonds6

About 4-carbazol-9-yl-9-[3-(6-dibenzothiophen-3-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)-4-phenylphenyl]carbazole

4-carbazol-9-yl-9-[3-(6-dibenzothiophen-3-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)-4-phenylphenyl]carbazole (PubChem CID 170097785) has the molecular formula C57H37N5S and a molecular weight of 824.02 g/mol. Its IUPAC name is 4-carbazol-9-yl-9-[3-(6-dibenzothiophen-3-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)-4-phenylphenyl]carbazole.

Molecular Properties

Compound Name4-carbazol-9-yl-9-[3-(6-dibenzothiophen-3-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)-4-phenylphenyl]carbazole
PubChem CID170097785
Molecular FormulaC57H37N5S
Molecular Weight824.02 g/mol
Exact Mass823.28
IUPAC Name4-carbazol-9-yl-9-[3-(6-dibenzothiophen-3-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)-4-phenylphenyl]carbazole
SMILESc1ccc(C2=NC(c3cc(-n4c5ccccc5c5c(-n6c7ccccc7c7ccccc76)cccc54)ccc3-c3ccccc3)NC(c3ccc4c(c3)sc3ccccc34)=N2)cc1
InChIInChI=1S/C57H37N5S/c1-3-16-36(17-4-1)40-33-31-39(61-49-26-13-9-23-45(49)54-50(61)27-15-28-51(54)62-47-24-11-7-20-41(47)42-21-8-12-25-48(42)62)35-46(40)57-59-55(37-18-5-2-6-19-37)58-56(60-57)38-30-32-44-43-22-10-14-29-52(43)63-53(44)34-38/h1-35,57H,(H,58,59,60)
InChIKeyLEFVZWQKVUMUEA-UHFFFAOYSA-N
XLogP14.41
TPSA46.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500824.02
LogP ≤ 514.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

9-[9-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-3-yl]carbazole
CID 166962088
4-[9-[2-[6-dibenzothiophen-2-yl-4-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 174274036
5-[9-[2-(6-dibenzothiophen-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-2,9-diphenylcarbazole
CID 174273713
9-[3-(6-dibenzothiophen-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-3-phenylcarbazole
CID 174276551
9-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-3-yl]-2-phenylcarbazole
CID 166961473
2-[3-(4-dibenzothiophen-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-9-phenylcarbazole
CID 142504958
9-[17-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]carbazole
CID 146664251
9-dibenzothiophen-2-yl-2-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-4-yl]carbazole
CID 139555379
7-[4-[6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 166961463
9-[7-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzofuran-3-yl]carbazole
CID 163906905
9-[8-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]dibenzothiophen-3-yl]carbazole
CID 166962570
9-[5-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-(1-phenylcarbazol-9-yl)carbazole
CID 170097253

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-9-[3-(6-dibenzothiophen-3-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)-4-phenylphenyl]carbazole?
The IUPAC name of 4-carbazol-9-yl-9-[3-(6-dibenzothiophen-3-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)-4-phenylphenyl]carbazole (CID 170097785) is 4-carbazol-9-yl-9-[3-(6-dibenzothiophen-3-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)-4-phenylphenyl]carbazole.
What is the SMILES notation for 4-carbazol-9-yl-9-[3-(6-dibenzothiophen-3-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)-4-phenylphenyl]carbazole?
The canonical SMILES for 4-carbazol-9-yl-9-[3-(6-dibenzothiophen-3-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)-4-phenylphenyl]carbazole is c1ccc(C2=NC(c3cc(-n4c5ccccc5c5c(-n6c7ccccc7c7ccccc76)cccc54)ccc3-c3ccccc3)NC(c3ccc4c(c3)sc3ccccc34)=N2)cc1.
What is the InChIKey of 4-carbazol-9-yl-9-[3-(6-dibenzothiophen-3-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)-4-phenylphenyl]carbazole?
The InChIKey is LEFVZWQKVUMUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N5S/c1-3-16-36(17-4-1)40-33-31-39(61-49-26-13-9-23-45(49)54-50(61)27-15-28-51(54)62-47-24-11-7-20-41(47)42-21-8-12-25-48(42)62)35-46(40)57-59-55(37-18-5-2-6-19-37)58-56(60-57)38-30-32-44-43-22-10-14-29-52(43)63-53(44)34-38/h1-35,57H,(H,58,59,60).
What are the key properties of 4-carbazol-9-yl-9-[3-(6-dibenzothiophen-3-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)-4-phenylphenyl]carbazole?
4-carbazol-9-yl-9-[3-(6-dibenzothiophen-3-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)-4-phenylphenyl]carbazole has a molecular weight of 824.02 g/mol, XLogP of 14.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-9-[3-(6-dibenzothiophen-3-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)-4-phenylphenyl]carbazole is sourced from PubChem (CID 170097785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).