2-methylpyridine;3-[(3Z,5Z)-3-pyridin-2-ylhepta-1,3,5-trien-4-yl]-6-(2-pyridin-2-ylphenyl)-9-[8-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzothiophen-2-yl]carbazole

C76H54N6S — CID 144612482

IUPAC2-methylpyridine;3-[(3Z,5Z)-3-pyridin-2-ylhepta-1,3,5-trien-4-yl]-6-(2-pyridin-2-ylphenyl)-9-[8-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzothiophen-2-yl]carbazole
SMILESC=C/C(=C(\C=C/C)c1ccc2c(c1)c1cc(-c3ccccc3-c3ccccn3)ccc1n2-c1ccc2sc3ccc(-n4c5ccccc5c5cc(-c6ccccc6-c6ccccn6)ccc54)cc3c2c1)c1ccccn1.Cc1ccccn1
InChIInChI=1S/C70H47N5S.C6H7N/c1-3-17-51(50(4-2)62-23-11-14-37-71-62)45-27-33-67-58(41-45)59-42-47(53-19-6-8-21-55(53)64-25-13-16-39-73-64)29-34-68(59)75(67)49-31-36-70-61(44-49)60-43-48(30-35-69(60)76-70)74-65-26-10-9-22-56(65)57-40-46(28-32-66(57)74)52-18-5-7-20-54(52)63-24-12-15-38-72-63;1-6-4-2-3-5-7-6/h3-44H,2H2,1H3;2-5H,1H3/b17-3-,51-50-;
InChIKeyHQLDPJVXIOSUSO-HMDDGWJGSA-N
MW1083.38 g/mol
LogP20.16
Rot. Bonds10

About 2-methylpyridine;3-[(3Z,5Z)-3-pyridin-2-ylhepta-1,3,5-trien-4-yl]-6-(2-pyridin-2-ylphenyl)-9-[8-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzothiophen-2-yl]carbazole

2-methylpyridine;3-[(3Z,5Z)-3-pyridin-2-ylhepta-1,3,5-trien-4-yl]-6-(2-pyridin-2-ylphenyl)-9-[8-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzothiophen-2-yl]carbazole (PubChem CID 144612482) has the molecular formula C76H54N6S and a molecular weight of 1083.38 g/mol. Its IUPAC name is 2-methylpyridine;3-[(3Z,5Z)-3-pyridin-2-ylhepta-1,3,5-trien-4-yl]-6-(2-pyridin-2-ylphenyl)-9-[8-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzothiophen-2-yl]carbazole.

Molecular Properties

Compound Name2-methylpyridine;3-[(3Z,5Z)-3-pyridin-2-ylhepta-1,3,5-trien-4-yl]-6-(2-pyridin-2-ylphenyl)-9-[8-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzothiophen-2-yl]carbazole
PubChem CID144612482
Molecular FormulaC76H54N6S
Molecular Weight1083.38 g/mol
Exact Mass1082.41
IUPAC Name2-methylpyridine;3-[(3Z,5Z)-3-pyridin-2-ylhepta-1,3,5-trien-4-yl]-6-(2-pyridin-2-ylphenyl)-9-[8-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzothiophen-2-yl]carbazole
SMILESC=C/C(=C(\C=C/C)c1ccc2c(c1)c1cc(-c3ccccc3-c3ccccn3)ccc1n2-c1ccc2sc3ccc(-n4c5ccccc5c5cc(-c6ccccc6-c6ccccn6)ccc54)cc3c2c1)c1ccccn1.Cc1ccccn1
InChIInChI=1S/C70H47N5S.C6H7N/c1-3-17-51(50(4-2)62-23-11-14-37-71-62)45-27-33-67-58(41-45)59-42-47(53-19-6-8-21-55(53)64-25-13-16-39-73-64)29-34-68(59)75(67)49-31-36-70-61(44-49)60-43-48(30-35-69(60)76-70)74-65-26-10-9-22-56(65)57-40-46(28-32-66(57)74)52-18-5-7-20-54(52)63-24-12-15-38-72-63;1-6-4-2-3-5-7-6/h3-44H,2H2,1H3;2-5H,1H3/b17-3-,51-50-;
InChIKeyHQLDPJVXIOSUSO-HMDDGWJGSA-N
XLogP20.16
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001083.38
LogP ≤ 520.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-methylpyridine;3-[(3Z,5Z)-3-pyridin-2-ylhepta-1,3,5-trien-4-yl]-6-(2-pyridin-2-ylphenyl)-9-[8-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzothiophen-2-yl]carbazole with MolForge

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Related Compounds

5-(9-methylcarbazol-3-yl)-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole
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9-[(Z)-3-[6-methyl-3-[3-[(2Z,4Z)-2-pyridin-2-ylhepta-2,4,6-trien-3-yl]carbazol-9-yl]-9H-cyclohepta[a]naphthalen-5-yl]prop-2-enyl]-3-(2-pyridin-2-ylphenyl)carbazole
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5-[3-methyl-2-[(1Z)-3-(5-phenylpyrido[3,2-b]indol-8-yl)buta-1,3-dienyl]-1-benzofuran-5-yl]-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole
CID 146542263
5-dibenzofuran-2-yl-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole;5-dibenzothiophen-2-yl-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole;5-phenylpyrido[3,2-b]indole;8-(2-pyridin-2-ylphenyl)-5-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indole;8-(2-pyridin-2-ylphenyl)-5-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzothiophen-2-yl]pyrido[3,2-b]indole;8-(2-pyridin-2-ylphenyl)-5-[3-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]phenyl]pyrido[3,2-b]indole;5-(3-pyrido[3,2-b]indol-5-ylphenyl)pyrido[3,2-b]indole
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5-[3-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole;ethene
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3-carbazol-9-yl-9-[2,6-di(dibenzothiophen-2-yl)phenyl]carbazole
CID 164733108
3-(4-ethenylphenyl)-9-[8-[3-(4-ethenylphenyl)-6-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-6-(2-pyridin-2-ylphenyl)carbazole
CID 88853124
CID 144619443
CID 144619443

Frequently Asked Questions

What is the IUPAC name of 2-methylpyridine;3-[(3Z,5Z)-3-pyridin-2-ylhepta-1,3,5-trien-4-yl]-6-(2-pyridin-2-ylphenyl)-9-[8-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzothiophen-2-yl]carbazole?
The IUPAC name of 2-methylpyridine;3-[(3Z,5Z)-3-pyridin-2-ylhepta-1,3,5-trien-4-yl]-6-(2-pyridin-2-ylphenyl)-9-[8-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzothiophen-2-yl]carbazole (CID 144612482) is 2-methylpyridine;3-[(3Z,5Z)-3-pyridin-2-ylhepta-1,3,5-trien-4-yl]-6-(2-pyridin-2-ylphenyl)-9-[8-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzothiophen-2-yl]carbazole.
What is the SMILES notation for 2-methylpyridine;3-[(3Z,5Z)-3-pyridin-2-ylhepta-1,3,5-trien-4-yl]-6-(2-pyridin-2-ylphenyl)-9-[8-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzothiophen-2-yl]carbazole?
The canonical SMILES for 2-methylpyridine;3-[(3Z,5Z)-3-pyridin-2-ylhepta-1,3,5-trien-4-yl]-6-(2-pyridin-2-ylphenyl)-9-[8-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzothiophen-2-yl]carbazole is C=C/C(=C(\C=C/C)c1ccc2c(c1)c1cc(-c3ccccc3-c3ccccn3)ccc1n2-c1ccc2sc3ccc(-n4c5ccccc5c5cc(-c6ccccc6-c6ccccn6)ccc54)cc3c2c1)c1ccccn1.Cc1ccccn1.
What is the InChIKey of 2-methylpyridine;3-[(3Z,5Z)-3-pyridin-2-ylhepta-1,3,5-trien-4-yl]-6-(2-pyridin-2-ylphenyl)-9-[8-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzothiophen-2-yl]carbazole?
The InChIKey is HQLDPJVXIOSUSO-HMDDGWJGSA-N. The full InChI is InChI=1S/C70H47N5S.C6H7N/c1-3-17-51(50(4-2)62-23-11-14-37-71-62)45-27-33-67-58(41-45)59-42-47(53-19-6-8-21-55(53)64-25-13-16-39-73-64)29-34-68(59)75(67)49-31-36-70-61(44-49)60-43-48(30-35-69(60)76-70)74-65-26-10-9-22-56(65)57-40-46(28-32-66(57)74)52-18-5-7-20-54(52)63-24-12-15-38-72-63;1-6-4-2-3-5-7-6/h3-44H,2H2,1H3;2-5H,1H3/b17-3-,51-50-;.
What are the key properties of 2-methylpyridine;3-[(3Z,5Z)-3-pyridin-2-ylhepta-1,3,5-trien-4-yl]-6-(2-pyridin-2-ylphenyl)-9-[8-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzothiophen-2-yl]carbazole?
2-methylpyridine;3-[(3Z,5Z)-3-pyridin-2-ylhepta-1,3,5-trien-4-yl]-6-(2-pyridin-2-ylphenyl)-9-[8-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzothiophen-2-yl]carbazole has a molecular weight of 1083.38 g/mol, XLogP of 20.16, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyridine;3-[(3Z,5Z)-3-pyridin-2-ylhepta-1,3,5-trien-4-yl]-6-(2-pyridin-2-ylphenyl)-9-[8-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzothiophen-2-yl]carbazole is sourced from PubChem (CID 144612482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).