2,4-Ditert-butyl-6-[4-(2-methylpropyl)-6-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;platinum

C40H42N3OPt- — CID 145751808

IUPAC2,4-ditert-butyl-6-[4-(2-methylpropyl)-6-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;platinum
SMILESCC(C)CC1=CC(=NC(=C1)C2=C(C(=CC(=C2)C(C)(C)C)C(C)(C)C)O)C3=[C-]C(=CC=C3)N4C5=CC=CC=C5C6=C4N=CC=C6.[Pt]
InChIInChI=1S/C40H42N3O.Pt/c1-25(2)19-26-20-34(42-35(21-26)32-23-28(39(3,4)5)24-33(37(32)44)40(6,7)8)27-13-11-14-29(22-27)43-36-17-10-9-15-30(36)31-16-12-18-41-38(31)43;/h9-18,20-21,23-25,44H,19H2,1-8H3;/q-1;
InChIKeyWRWDNBHOBCFXSK-UHFFFAOYSA-N
MW775.90 g/mol
LogP—
Rot. Bonds4

About 2,4-Ditert-butyl-6-[4-(2-methylpropyl)-6-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;platinum

2,4-Ditert-butyl-6-[4-(2-methylpropyl)-6-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;platinum (PubChem CID 145751808) has the molecular formula C40H42N3OPt- and a molecular weight of 775.90 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[4-(2-methylpropyl)-6-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;platinum.

Molecular Properties

Compound Name2,4-Ditert-butyl-6-[4-(2-methylpropyl)-6-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;platinum
PubChem CID145751808
Molecular FormulaC40H42N3OPt-
Molecular Weight775.90 g/mol
Exact Mass775.30
IUPAC Name2,4-ditert-butyl-6-[4-(2-methylpropyl)-6-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;platinum
SMILESCC(C)CC1=CC(=NC(=C1)C2=C(C(=CC(=C2)C(C)(C)C)C(C)(C)C)O)C3=[C-]C(=CC=C3)N4C5=CC=CC=C5C6=C4N=CC=C6.[Pt]
InChIInChI=1S/C40H42N3O.Pt/c1-25(2)19-26-20-34(42-35(21-26)32-23-28(39(3,4)5)24-33(37(32)44)40(6,7)8)27-13-11-14-29(22-27)43-36-17-10-9-15-30(36)31-16-12-18-41-38(31)43;/h9-18,20-21,23-25,44H,19H2,1-8H3;/q-1;
InChIKeyWRWDNBHOBCFXSK-UHFFFAOYSA-N
XLogP—
TPSA50.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms45
Complexity1100

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500775.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-Ditert-butyl-6-[4-(2-methylpropyl)-6-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;platinum?
The IUPAC name of 2,4-Ditert-butyl-6-[4-(2-methylpropyl)-6-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;platinum (CID 145751808) is 2,4-ditert-butyl-6-[4-(2-methylpropyl)-6-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;platinum.
What is the SMILES notation for 2,4-Ditert-butyl-6-[4-(2-methylpropyl)-6-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;platinum?
The canonical SMILES for 2,4-Ditert-butyl-6-[4-(2-methylpropyl)-6-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;platinum is CC(C)CC1=CC(=NC(=C1)C2=C(C(=CC(=C2)C(C)(C)C)C(C)(C)C)O)C3=[C-]C(=CC=C3)N4C5=CC=CC=C5C6=C4N=CC=C6.[Pt].
What is the InChIKey of 2,4-Ditert-butyl-6-[4-(2-methylpropyl)-6-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;platinum?
The InChIKey is WRWDNBHOBCFXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H42N3O.Pt/c1-25(2)19-26-20-34(42-35(21-26)32-23-28(39(3,4)5)24-33(37(32)44)40(6,7)8)27-13-11-14-29(22-27)43-36-17-10-9-15-30(36)31-16-12-18-41-38(31)43;/h9-18,20-21,23-25,44H,19H2,1-8H3;/q-1;.
What are the key properties of 2,4-Ditert-butyl-6-[4-(2-methylpropyl)-6-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;platinum?
2,4-Ditert-butyl-6-[4-(2-methylpropyl)-6-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;platinum has a molecular weight of 775.90 g/mol, XLogP of not available, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-Ditert-butyl-6-[4-(2-methylpropyl)-6-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;platinum is sourced from PubChem (CID 145751808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).