2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-(4-ethylphenyl)anilino)-2-pyridinyl]propan-2-yl]-N-[2-(9-hexan-3-ylcarbazol-3-yl)ethyl]-N-phenylpyridin-4-amine;platinum(2+)

C65H57F4N5Pt — CID 58831140

IUPAC2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-(4-ethylphenyl)anilino)-2-pyridinyl]propan-2-yl]-N-[2-(9-hexan-3-ylcarbazol-3-yl)ethyl]-N-phenylpyridin-4-amine;platinum(2+)
SMILESCCCC(CC)n1c2ccccc2c2cc(CCN(c3ccccc3)c3cc(-c4[c-]cc(F)cc4F)nc(C(C)(C)c4cc(N(c5ccccc5)c5ccc(CC)cc5)cc(-c5[c-]cc(F)cc5F)n4)c3)ccc21.[Pt+2]
InChIInChI=1S/C65H57F4N5.Pt/c1-6-17-47(8-3)74-61-23-16-15-22-53(61)56-36-44(26-33-62(56)74)34-35-72(48-18-11-9-12-19-48)51-39-59(54-31-27-45(66)37-57(54)68)70-63(41-51)65(4,5)64-42-52(40-60(71-64)55-32-28-46(67)38-58(55)69)73(49-20-13-10-14-21-49)50-29-24-43(7-2)25-30-50;/h9-16,18-30,33,36-42,47H,6-8,17,34-35H2,1-5H3;/q-2;+2
InChIKeyGXPDUZUWAPNTPE-UHFFFAOYSA-N
MW1179.28 g/mol
LogP17.56
Rot. Bonds17

About 2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-(4-ethylphenyl)anilino)-2-pyridinyl]propan-2-yl]-N-[2-(9-hexan-3-ylcarbazol-3-yl)ethyl]-N-phenylpyridin-4-amine;platinum(2+)

2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-(4-ethylphenyl)anilino)-2-pyridinyl]propan-2-yl]-N-[2-(9-hexan-3-ylcarbazol-3-yl)ethyl]-N-phenylpyridin-4-amine;platinum(2+) (PubChem CID 58831140) has the molecular formula C65H57F4N5Pt and a molecular weight of 1179.28 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-(4-ethylphenyl)anilino)-2-pyridinyl]propan-2-yl]-N-[2-(9-hexan-3-ylcarbazol-3-yl)ethyl]-N-phenylpyridin-4-amine;platinum(2+).

Molecular Properties

Compound Name2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-(4-ethylphenyl)anilino)-2-pyridinyl]propan-2-yl]-N-[2-(9-hexan-3-ylcarbazol-3-yl)ethyl]-N-phenylpyridin-4-amine;platinum(2+)
PubChem CID58831140
Molecular FormulaC65H57F4N5Pt
Molecular Weight1179.28 g/mol
Exact Mass1178.42
IUPAC Name2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-(4-ethylphenyl)anilino)-2-pyridinyl]propan-2-yl]-N-[2-(9-hexan-3-ylcarbazol-3-yl)ethyl]-N-phenylpyridin-4-amine;platinum(2+)
SMILESCCCC(CC)n1c2ccccc2c2cc(CCN(c3ccccc3)c3cc(-c4[c-]cc(F)cc4F)nc(C(C)(C)c4cc(N(c5ccccc5)c5ccc(CC)cc5)cc(-c5[c-]cc(F)cc5F)n4)c3)ccc21.[Pt+2]
InChIInChI=1S/C65H57F4N5.Pt/c1-6-17-47(8-3)74-61-23-16-15-22-53(61)56-36-44(26-33-62(56)74)34-35-72(48-18-11-9-12-19-48)51-39-59(54-31-27-45(66)37-57(54)68)70-63(41-51)65(4,5)64-42-52(40-60(71-64)55-32-28-46(67)38-58(55)69)73(49-20-13-10-14-21-49)50-29-24-43(7-2)25-30-50;/h9-16,18-30,33,36-42,47H,6-8,17,34-35H2,1-5H3;/q-2;+2
InChIKeyGXPDUZUWAPNTPE-UHFFFAOYSA-N
XLogP17.56
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001179.28
LogP ≤ 517.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-(4-ethylphenyl)anilino)-2-pyridinyl]propan-2-yl]-N-[2-(9-hexan-3-ylcarbazol-3-yl)ethyl]-N-phenylpyridin-4-amine;platinum(2+) with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-(4-ethylphenyl)anilino)-2-pyridinyl]propan-2-yl]-N-[2-(9-hexan-3-ylcarbazol-3-yl)ethyl]-N-phenylpyridin-4-amine;platinum(2+)?
The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-(4-ethylphenyl)anilino)-2-pyridinyl]propan-2-yl]-N-[2-(9-hexan-3-ylcarbazol-3-yl)ethyl]-N-phenylpyridin-4-amine;platinum(2+) (CID 58831140) is 2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-(4-ethylphenyl)anilino)-2-pyridinyl]propan-2-yl]-N-[2-(9-hexan-3-ylcarbazol-3-yl)ethyl]-N-phenylpyridin-4-amine;platinum(2+).
What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-(4-ethylphenyl)anilino)-2-pyridinyl]propan-2-yl]-N-[2-(9-hexan-3-ylcarbazol-3-yl)ethyl]-N-phenylpyridin-4-amine;platinum(2+)?
The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-(4-ethylphenyl)anilino)-2-pyridinyl]propan-2-yl]-N-[2-(9-hexan-3-ylcarbazol-3-yl)ethyl]-N-phenylpyridin-4-amine;platinum(2+) is CCCC(CC)n1c2ccccc2c2cc(CCN(c3ccccc3)c3cc(-c4[c-]cc(F)cc4F)nc(C(C)(C)c4cc(N(c5ccccc5)c5ccc(CC)cc5)cc(-c5[c-]cc(F)cc5F)n4)c3)ccc21.[Pt+2].
What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-(4-ethylphenyl)anilino)-2-pyridinyl]propan-2-yl]-N-[2-(9-hexan-3-ylcarbazol-3-yl)ethyl]-N-phenylpyridin-4-amine;platinum(2+)?
The InChIKey is GXPDUZUWAPNTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H57F4N5.Pt/c1-6-17-47(8-3)74-61-23-16-15-22-53(61)56-36-44(26-33-62(56)74)34-35-72(48-18-11-9-12-19-48)51-39-59(54-31-27-45(66)37-57(54)68)70-63(41-51)65(4,5)64-42-52(40-60(71-64)55-32-28-46(67)38-58(55)69)73(49-20-13-10-14-21-49)50-29-24-43(7-2)25-30-50;/h9-16,18-30,33,36-42,47H,6-8,17,34-35H2,1-5H3;/q-2;+2.
What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-(4-ethylphenyl)anilino)-2-pyridinyl]propan-2-yl]-N-[2-(9-hexan-3-ylcarbazol-3-yl)ethyl]-N-phenylpyridin-4-amine;platinum(2+)?
2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-(4-ethylphenyl)anilino)-2-pyridinyl]propan-2-yl]-N-[2-(9-hexan-3-ylcarbazol-3-yl)ethyl]-N-phenylpyridin-4-amine;platinum(2+) has a molecular weight of 1179.28 g/mol, XLogP of 17.56, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-(4-ethylphenyl)anilino)-2-pyridinyl]propan-2-yl]-N-[2-(9-hexan-3-ylcarbazol-3-yl)ethyl]-N-phenylpyridin-4-amine;platinum(2+) is sourced from PubChem (CID 58831140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).