5-[1-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-12-phenylindolo[3,2-c]carbazole

C52H35N5S — CID 139496978

IUPAC5-[1-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-12-phenylindolo[3,2-c]carbazole
SMILESC=C/C=C\C=C(/C)c1nc(-c2ccccc2)nc(-c2c(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)ccc3sc4ccccc4c23)n1
InChIInChI=1S/C52H35N5S/c1-3-4-7-18-33(2)50-53-51(34-19-8-5-9-20-34)55-52(54-50)48-43(31-32-45-47(48)39-25-14-17-28-44(39)58-45)57-41-27-16-13-24-38(41)46-42(57)30-29-37-36-23-12-15-26-40(36)56(49(37)46)35-21-10-6-11-22-35/h3-32H,1H2,2H3/b7-4-,33-18+
InChIKeyULIBXYHYNSFUSC-VFZVJXRYSA-N
MW761.95 g/mol
LogP13.91
Rot. Bonds7

About 5-[1-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-12-phenylindolo[3,2-c]carbazole

5-[1-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-12-phenylindolo[3,2-c]carbazole (PubChem CID 139496978) has the molecular formula C52H35N5S and a molecular weight of 761.95 g/mol. Its IUPAC name is 5-[1-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-12-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[1-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-12-phenylindolo[3,2-c]carbazole
PubChem CID139496978
Molecular FormulaC52H35N5S
Molecular Weight761.95 g/mol
Exact Mass761.26
IUPAC Name5-[1-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-12-phenylindolo[3,2-c]carbazole
SMILESC=C/C=C\C=C(/C)c1nc(-c2ccccc2)nc(-c2c(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)ccc3sc4ccccc4c23)n1
InChIInChI=1S/C52H35N5S/c1-3-4-7-18-33(2)50-53-51(34-19-8-5-9-20-34)55-52(54-50)48-43(31-32-45-47(48)39-25-14-17-28-44(39)58-45)57-41-27-16-13-24-38(41)46-42(57)30-29-37-36-23-12-15-26-40(36)56(49(37)46)35-21-10-6-11-22-35/h3-32H,1H2,2H3/b7-4-,33-18+
InChIKeyULIBXYHYNSFUSC-VFZVJXRYSA-N
XLogP13.91
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.95
LogP ≤ 513.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 5-[1-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-12-phenylindolo[3,2-c]carbazole with MolForge

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Related Compounds

12-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole
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3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole
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12-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-a]carbazole
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5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole
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3-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-12-phenylindolo[3,2-c]carbazole
CID 159838737
12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-11-phenylindolo[2,3-a]carbazole;5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-12-phenylindolo[3,2-c]carbazole;12-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 159521551
14-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-phenylindolo[3,2-c]carbazole;14-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
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12-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]-11-pyridin-2-ylindolo[2,3-a]carbazole
CID 163432923
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-11,12-diphenylindolo[2,3-a]carbazole
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17-carbazol-9-yl-14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 162477807
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 147976679

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-12-phenylindolo[3,2-c]carbazole?
The IUPAC name of 5-[1-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-12-phenylindolo[3,2-c]carbazole (CID 139496978) is 5-[1-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-12-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 5-[1-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-12-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 5-[1-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-12-phenylindolo[3,2-c]carbazole is C=C/C=C\C=C(/C)c1nc(-c2ccccc2)nc(-c2c(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)ccc3sc4ccccc4c23)n1.
What is the InChIKey of 5-[1-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-12-phenylindolo[3,2-c]carbazole?
The InChIKey is ULIBXYHYNSFUSC-VFZVJXRYSA-N. The full InChI is InChI=1S/C52H35N5S/c1-3-4-7-18-33(2)50-53-51(34-19-8-5-9-20-34)55-52(54-50)48-43(31-32-45-47(48)39-25-14-17-28-44(39)58-45)57-41-27-16-13-24-38(41)46-42(57)30-29-37-36-23-12-15-26-40(36)56(49(37)46)35-21-10-6-11-22-35/h3-32H,1H2,2H3/b7-4-,33-18+.
What are the key properties of 5-[1-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-12-phenylindolo[3,2-c]carbazole?
5-[1-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-12-phenylindolo[3,2-c]carbazole has a molecular weight of 761.95 g/mol, XLogP of 13.91, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-12-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 139496978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).