2,4-diphenyl-6-(1-phenyldibenzothiophen-3-yl)-3,5-diaza-1-azanidacyclohexa-3,5-diene

C33H22N3S- — CID 163746310

IUPAC2,4-diphenyl-6-(1-phenyldibenzothiophen-3-yl)-3,5-diaza-1-azanidacyclohexa-3,5-diene
SMILESc1ccc(C2=NC(c3ccccc3)[N-]C(c3cc(-c4ccccc4)c4c(c3)sc3ccccc34)=N2)cc1
InChIInChI=1S/C33H22N3S/c1-4-12-22(13-5-1)27-20-25(21-29-30(27)26-18-10-11-19-28(26)37-29)33-35-31(23-14-6-2-7-15-23)34-32(36-33)24-16-8-3-9-17-24/h1-21,31H/q-1
InChIKeyLMELRMWCWJOXRQ-UHFFFAOYSA-N
MW492.63 g/mol
LogP9.00
Rot. Bonds4

About 2,4-diphenyl-6-(1-phenyldibenzothiophen-3-yl)-3,5-diaza-1-azanidacyclohexa-3,5-diene

2,4-diphenyl-6-(1-phenyldibenzothiophen-3-yl)-3,5-diaza-1-azanidacyclohexa-3,5-diene (PubChem CID 163746310) has the molecular formula C33H22N3S- and a molecular weight of 492.63 g/mol. Its IUPAC name is 2,4-diphenyl-6-(1-phenyldibenzothiophen-3-yl)-3,5-diaza-1-azanidacyclohexa-3,5-diene.

Molecular Properties

Compound Name2,4-diphenyl-6-(1-phenyldibenzothiophen-3-yl)-3,5-diaza-1-azanidacyclohexa-3,5-diene
PubChem CID163746310
Molecular FormulaC33H22N3S-
Molecular Weight492.63 g/mol
Exact Mass492.15
IUPAC Name2,4-diphenyl-6-(1-phenyldibenzothiophen-3-yl)-3,5-diaza-1-azanidacyclohexa-3,5-diene
SMILESc1ccc(C2=NC(c3ccccc3)[N-]C(c3cc(-c4ccccc4)c4c(c3)sc3ccccc34)=N2)cc1
InChIInChI=1S/C33H22N3S/c1-4-12-22(13-5-1)27-20-25(21-29-30(27)26-18-10-11-19-28(26)37-29)33-35-31(23-14-6-2-7-15-23)34-32(36-33)24-16-8-3-9-17-24/h1-21,31H/q-1
InChIKeyLMELRMWCWJOXRQ-UHFFFAOYSA-N
XLogP9.00
TPSA38.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.63
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-diphenyl-6-[3-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3-diaza-5-azanidacyclohexa-1,3-diene
CID 163462913
2,4-diphenyl-6-[1-(3-phenylphenyl)dibenzofuran-3-yl]-3,5-diaza-1-azanidacyclohexa-3,5-diene
CID 163683464
2-phenyl-4-[4-(1-phenyldibenzothiophen-3-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850299
2,4-diphenyl-6-[9-(1-phenyldibenzothiophen-3-yl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 170199264
2,4-diphenyl-6-[9-[1-(4-phenylphenyl)dibenzothiophen-3-yl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 170210147
2,4-diphenyl-6-[4-[1-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]dibenzothiophen-3-yl]phenyl]pyrimidine
CID 142453376
3-dibenzothiophen-1-yl-1-[4-(3,4-diphenylphenyl)phenyl]dibenzothiophene
CID 165093475
2-phenyl-4-[7-(1-phenyldibenzothiophen-3-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170378557
7-[3-(4,6-diphenyl-1,5-diaza-3-azanidacyclohexa-1,5-dien-2-yl)phenyl]-2-phenyl-1,2-dihydrobenzo[e][1,3]benzothiazole
CID 145381166
3-dibenzothiophen-4-yl-1-(3,4,5-triphenylphenyl)dibenzothiophene
CID 165035673
2-naphthalen-2-yl-4-[4-(1-phenyldibenzothiophen-3-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174328770
1-phenyldibenzothiophene;hydrobromide
CID 174679709

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-(1-phenyldibenzothiophen-3-yl)-3,5-diaza-1-azanidacyclohexa-3,5-diene?
The IUPAC name of 2,4-diphenyl-6-(1-phenyldibenzothiophen-3-yl)-3,5-diaza-1-azanidacyclohexa-3,5-diene (CID 163746310) is 2,4-diphenyl-6-(1-phenyldibenzothiophen-3-yl)-3,5-diaza-1-azanidacyclohexa-3,5-diene.
What is the SMILES notation for 2,4-diphenyl-6-(1-phenyldibenzothiophen-3-yl)-3,5-diaza-1-azanidacyclohexa-3,5-diene?
The canonical SMILES for 2,4-diphenyl-6-(1-phenyldibenzothiophen-3-yl)-3,5-diaza-1-azanidacyclohexa-3,5-diene is c1ccc(C2=NC(c3ccccc3)[N-]C(c3cc(-c4ccccc4)c4c(c3)sc3ccccc34)=N2)cc1.
What is the InChIKey of 2,4-diphenyl-6-(1-phenyldibenzothiophen-3-yl)-3,5-diaza-1-azanidacyclohexa-3,5-diene?
The InChIKey is LMELRMWCWJOXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N3S/c1-4-12-22(13-5-1)27-20-25(21-29-30(27)26-18-10-11-19-28(26)37-29)33-35-31(23-14-6-2-7-15-23)34-32(36-33)24-16-8-3-9-17-24/h1-21,31H/q-1.
What are the key properties of 2,4-diphenyl-6-(1-phenyldibenzothiophen-3-yl)-3,5-diaza-1-azanidacyclohexa-3,5-diene?
2,4-diphenyl-6-(1-phenyldibenzothiophen-3-yl)-3,5-diaza-1-azanidacyclohexa-3,5-diene has a molecular weight of 492.63 g/mol, XLogP of 9.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-(1-phenyldibenzothiophen-3-yl)-3,5-diaza-1-azanidacyclohexa-3,5-diene is sourced from PubChem (CID 163746310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).