5-[3-naphtho[1,2-b][1]benzothiol-6-yl-4-[6-phenyl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole

C59H38N4S — CID 155430320

IUPAC5-[3-naphtho[1,2-b][1]benzothiol-6-yl-4-[6-phenyl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
SMILESc1ccc(C2=NC(c3ccc(-c4ccccc4)cc3)=NC(c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)cc3-c3cc4ccccc4c4sc5ccccc5c34)N2)cc1
InChIInChI=1S/C59H38N4S/c1-3-15-37(16-4-1)38-27-29-40(30-28-38)58-60-57(39-17-5-2-6-18-39)61-59(62-58)47-32-31-44(63-52-25-13-11-23-46(52)50-33-41-19-7-8-20-42(41)35-53(50)63)36-49(47)51-34-43-21-9-10-22-45(43)56-55(51)48-24-12-14-26-54(48)64-56/h1-36,59H,(H,60,61,62)
InChIKeyZHVDDHWXRRZYSJ-UHFFFAOYSA-N
MW835.05 g/mol
LogP15.29
Rot. Bonds6

About 5-[3-naphtho[1,2-b][1]benzothiol-6-yl-4-[6-phenyl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole

5-[3-naphtho[1,2-b][1]benzothiol-6-yl-4-[6-phenyl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole (PubChem CID 155430320) has the molecular formula C59H38N4S and a molecular weight of 835.05 g/mol. Its IUPAC name is 5-[3-naphtho[1,2-b][1]benzothiol-6-yl-4-[6-phenyl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[3-naphtho[1,2-b][1]benzothiol-6-yl-4-[6-phenyl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
PubChem CID155430320
Molecular FormulaC59H38N4S
Molecular Weight835.05 g/mol
Exact Mass834.28
IUPAC Name5-[3-naphtho[1,2-b][1]benzothiol-6-yl-4-[6-phenyl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
SMILESc1ccc(C2=NC(c3ccc(-c4ccccc4)cc3)=NC(c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)cc3-c3cc4ccccc4c4sc5ccccc5c34)N2)cc1
InChIInChI=1S/C59H38N4S/c1-3-15-37(16-4-1)38-27-29-40(30-28-38)58-60-57(39-17-5-2-6-18-39)61-59(62-58)47-32-31-44(63-52-25-13-11-23-46(52)50-33-41-19-7-8-20-42(41)35-53(50)63)36-49(47)51-34-43-21-9-10-22-45(43)56-55(51)48-24-12-14-26-54(48)64-56/h1-36,59H,(H,60,61,62)
InChIKeyZHVDDHWXRRZYSJ-UHFFFAOYSA-N
XLogP15.29
TPSA41.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.05
LogP ≤ 515.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-[3-[4-(2-dibenzothiophen-4-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]benzo[c]carbazole
CID 166915900
2-carbazol-9-yl-5-[2-(6-phenanthren-2-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 160929756
9-[9-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-3-yl]carbazole
CID 166962088
12-[3-dibenzofuran-2-yl-4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 155430253
5-[3-dibenzothiophen-4-yl-4-(6-phenanthren-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]benzo[b]carbazole
CID 155430839
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
5-[3-dibenzothiophen-1-yl-4-[2,6-di(triphenylen-2-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole
CID 155430242
9-[7-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzofuran-3-yl]carbazole
CID 163906905
12-[4-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 167032341
5-[2-naphtho[1,2-b][1]benzothiol-6-yl-4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155474737
3-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]carbazole
CID 136619917
5-[2-naphtho[1,2-b][1]benzothiol-6-yl-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155474735

Frequently Asked Questions

What is the IUPAC name of 5-[3-naphtho[1,2-b][1]benzothiol-6-yl-4-[6-phenyl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole?
The IUPAC name of 5-[3-naphtho[1,2-b][1]benzothiol-6-yl-4-[6-phenyl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole (CID 155430320) is 5-[3-naphtho[1,2-b][1]benzothiol-6-yl-4-[6-phenyl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole.
What is the SMILES notation for 5-[3-naphtho[1,2-b][1]benzothiol-6-yl-4-[6-phenyl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole?
The canonical SMILES for 5-[3-naphtho[1,2-b][1]benzothiol-6-yl-4-[6-phenyl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole is c1ccc(C2=NC(c3ccc(-c4ccccc4)cc3)=NC(c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)cc3-c3cc4ccccc4c4sc5ccccc5c34)N2)cc1.
What is the InChIKey of 5-[3-naphtho[1,2-b][1]benzothiol-6-yl-4-[6-phenyl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole?
The InChIKey is ZHVDDHWXRRZYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N4S/c1-3-15-37(16-4-1)38-27-29-40(30-28-38)58-60-57(39-17-5-2-6-18-39)61-59(62-58)47-32-31-44(63-52-25-13-11-23-46(52)50-33-41-19-7-8-20-42(41)35-53(50)63)36-49(47)51-34-43-21-9-10-22-45(43)56-55(51)48-24-12-14-26-54(48)64-56/h1-36,59H,(H,60,61,62).
What are the key properties of 5-[3-naphtho[1,2-b][1]benzothiol-6-yl-4-[6-phenyl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole?
5-[3-naphtho[1,2-b][1]benzothiol-6-yl-4-[6-phenyl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole has a molecular weight of 835.05 g/mol, XLogP of 15.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-naphtho[1,2-b][1]benzothiol-6-yl-4-[6-phenyl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole is sourced from PubChem (CID 155430320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).