5-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;2-[3-tert-butyl-5-[(4-tert-butyl-2-pyridinyl)oxy]benzene-6-id-1-yl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;bis(3,6-ditert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide);pentakis(platinum(2+))

C208H221N15O5Pt5 — CID 160804726

IUPAC5-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;2-[3-tert-butyl-5-[(4-tert-butyl-2-pyridinyl)oxy]benzene-6-id-1-yl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;bis(3,6-ditert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide);pentakis(platinum(2+))
SMILESCC(C)(C)c1cc(Oc2cc(C(C)(C)C)ccn2)[c-]c(-c2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)c1.CC(C)(C)c1ccnc(Oc2[c-]c(-c3[c-]c4c(cc3)c3c(C(C)(C)C)cccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c1.CC(C)(C)c1ccnc(Oc2[c-]c(-c3[c-]c4c(cc3)c3cc(C(C)(C)C)ccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c1.CC(C)(C)c1ccnc(Oc2[c-]c(-c3[c-]c4c(cc3C(C)(C)C)c3cc(C(C)(C)C)ccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c1.CC(C)(C)c1ccnc(Oc2[c-]c(-c3[c-]c4c(cc3C(C)(C)C)c3cc(C(C)(C)C)ccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/2C44H49N3O.3C40H41N3O.5Pt/c2*1-41(2,3)29-16-17-37-34(23-29)35-26-36(44(10,11)12)33(27-38(35)47(37)39-24-30(18-20-45-39)42(4,5)6)28-14-13-15-32(22-28)48-40-25-31(19-21-46-40)43(7,8)9;1-38(2,3)28-18-20-41-35(24-28)43-33-15-11-14-32(40(7,8)9)37(33)31-17-16-27(23-34(31)43)26-12-10-13-30(22-26)44-36-25-29(19-21-42-36)39(4,5)6;1-38(2,3)28-14-16-34-33(23-28)32-15-13-27(22-35(32)43(34)36-24-29(17-19-41-36)39(4,5)6)26-11-10-12-31(21-26)44-37-25-30(18-20-42-37)40(7,8)9;1-38(2,3)28-16-18-41-36(24-28)43-34-13-11-10-12-32(34)33-15-14-26(22-35(33)43)27-20-30(40(7,8)9)23-31(21-27)44-37-25-29(17-19-42-37)39(4,5)6;;;;;/h2*13-21,23-26H,1-12H3;10-21,24-25H,1-9H3;2*10-20,23-25H,1-9H3;;;;;/q5*-2;5*+2
InChIKeyLUZIRYWIYNVZSY-UHFFFAOYSA-N
MW3986.55 g/mol
LogP55.21
Rot. Bonds20

About 5-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;2-[3-tert-butyl-5-[(4-tert-butyl-2-pyridinyl)oxy]benzene-6-id-1-yl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;bis(3,6-ditert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide);pentakis(platinum(2+))

5-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;2-[3-tert-butyl-5-[(4-tert-butyl-2-pyridinyl)oxy]benzene-6-id-1-yl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;bis(3,6-ditert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide);pentakis(platinum(2+)) (PubChem CID 160804726) has the molecular formula C208H221N15O5Pt5 and a molecular weight of 3986.55 g/mol. Its IUPAC name is 5-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;2-[3-tert-butyl-5-[(4-tert-butyl-2-pyridinyl)oxy]benzene-6-id-1-yl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;bis(3,6-ditert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide);pentakis(platinum(2+)).

Molecular Properties

Compound Name5-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;2-[3-tert-butyl-5-[(4-tert-butyl-2-pyridinyl)oxy]benzene-6-id-1-yl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;bis(3,6-ditert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide);pentakis(platinum(2+))
PubChem CID160804726
Molecular FormulaC208H221N15O5Pt5
Molecular Weight3986.55 g/mol
Exact Mass3983.57
IUPAC Name5-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;2-[3-tert-butyl-5-[(4-tert-butyl-2-pyridinyl)oxy]benzene-6-id-1-yl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;bis(3,6-ditert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide);pentakis(platinum(2+))
SMILESCC(C)(C)c1cc(Oc2cc(C(C)(C)C)ccn2)[c-]c(-c2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)c1.CC(C)(C)c1ccnc(Oc2[c-]c(-c3[c-]c4c(cc3)c3c(C(C)(C)C)cccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c1.CC(C)(C)c1ccnc(Oc2[c-]c(-c3[c-]c4c(cc3)c3cc(C(C)(C)C)ccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c1.CC(C)(C)c1ccnc(Oc2[c-]c(-c3[c-]c4c(cc3C(C)(C)C)c3cc(C(C)(C)C)ccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c1.CC(C)(C)c1ccnc(Oc2[c-]c(-c3[c-]c4c(cc3C(C)(C)C)c3cc(C(C)(C)C)ccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/2C44H49N3O.3C40H41N3O.5Pt/c2*1-41(2,3)29-16-17-37-34(23-29)35-26-36(44(10,11)12)33(27-38(35)47(37)39-24-30(18-20-45-39)42(4,5)6)28-14-13-15-32(22-28)48-40-25-31(19-21-46-40)43(7,8)9;1-38(2,3)28-18-20-41-35(24-28)43-33-15-11-14-32(40(7,8)9)37(33)31-17-16-27(23-34(31)43)26-12-10-13-30(22-26)44-36-25-29(19-21-42-36)39(4,5)6;1-38(2,3)28-14-16-34-33(23-28)32-15-13-27(22-35(32)43(34)36-24-29(17-19-41-36)39(4,5)6)26-11-10-12-31(21-26)44-37-25-30(18-20-42-37)40(7,8)9;1-38(2,3)28-16-18-41-36(24-28)43-34-13-11-10-12-32(34)33-15-14-26(22-35(33)43)27-20-30(40(7,8)9)23-31(21-27)44-37-25-29(17-19-42-37)39(4,5)6;;;;;/h2*13-21,23-26H,1-12H3;10-21,24-25H,1-9H3;2*10-20,23-25H,1-9H3;;;;;/q5*-2;5*+2
InChIKeyLUZIRYWIYNVZSY-UHFFFAOYSA-N
XLogP55.21
TPSA199.70 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms233
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003986.55
LogP ≤ 555.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 5-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;2-[3-tert-butyl-5-[(4-tert-butyl-2-pyridinyl)oxy]benzene-6-id-1-yl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;bis(3,6-ditert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide);pentakis(platinum(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;2-[3-tert-butyl-5-[(4-tert-butyl-2-pyridinyl)oxy]benzene-6-id-1-yl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;bis(3,6-ditert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide);pentakis(platinum(2+))?
The IUPAC name of 5-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;2-[3-tert-butyl-5-[(4-tert-butyl-2-pyridinyl)oxy]benzene-6-id-1-yl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;bis(3,6-ditert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide);pentakis(platinum(2+)) (CID 160804726) is 5-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;2-[3-tert-butyl-5-[(4-tert-butyl-2-pyridinyl)oxy]benzene-6-id-1-yl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;bis(3,6-ditert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide);pentakis(platinum(2+)).
What is the SMILES notation for 5-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;2-[3-tert-butyl-5-[(4-tert-butyl-2-pyridinyl)oxy]benzene-6-id-1-yl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;bis(3,6-ditert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide);pentakis(platinum(2+))?
The canonical SMILES for 5-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;2-[3-tert-butyl-5-[(4-tert-butyl-2-pyridinyl)oxy]benzene-6-id-1-yl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;bis(3,6-ditert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide);pentakis(platinum(2+)) is CC(C)(C)c1cc(Oc2cc(C(C)(C)C)ccn2)[c-]c(-c2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)c1.CC(C)(C)c1ccnc(Oc2[c-]c(-c3[c-]c4c(cc3)c3c(C(C)(C)C)cccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c1.CC(C)(C)c1ccnc(Oc2[c-]c(-c3[c-]c4c(cc3)c3cc(C(C)(C)C)ccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c1.CC(C)(C)c1ccnc(Oc2[c-]c(-c3[c-]c4c(cc3C(C)(C)C)c3cc(C(C)(C)C)ccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c1.CC(C)(C)c1ccnc(Oc2[c-]c(-c3[c-]c4c(cc3C(C)(C)C)c3cc(C(C)(C)C)ccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of 5-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;2-[3-tert-butyl-5-[(4-tert-butyl-2-pyridinyl)oxy]benzene-6-id-1-yl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;bis(3,6-ditert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide);pentakis(platinum(2+))?
The InChIKey is LUZIRYWIYNVZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C44H49N3O.3C40H41N3O.5Pt/c2*1-41(2,3)29-16-17-37-34(23-29)35-26-36(44(10,11)12)33(27-38(35)47(37)39-24-30(18-20-45-39)42(4,5)6)28-14-13-15-32(22-28)48-40-25-31(19-21-46-40)43(7,8)9;1-38(2,3)28-18-20-41-35(24-28)43-33-15-11-14-32(40(7,8)9)37(33)31-17-16-27(23-34(31)43)26-12-10-13-30(22-26)44-36-25-29(19-21-42-36)39(4,5)6;1-38(2,3)28-14-16-34-33(23-28)32-15-13-27(22-35(32)43(34)36-24-29(17-19-41-36)39(4,5)6)26-11-10-12-31(21-26)44-37-25-30(18-20-42-37)40(7,8)9;1-38(2,3)28-16-18-41-36(24-28)43-34-13-11-10-12-32(34)33-15-14-26(22-35(33)43)27-20-30(40(7,8)9)23-31(21-27)44-37-25-29(17-19-42-37)39(4,5)6;;;;;/h2*13-21,23-26H,1-12H3;10-21,24-25H,1-9H3;2*10-20,23-25H,1-9H3;;;;;/q5*-2;5*+2.
What are the key properties of 5-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;2-[3-tert-butyl-5-[(4-tert-butyl-2-pyridinyl)oxy]benzene-6-id-1-yl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;bis(3,6-ditert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide);pentakis(platinum(2+))?
5-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;2-[3-tert-butyl-5-[(4-tert-butyl-2-pyridinyl)oxy]benzene-6-id-1-yl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;bis(3,6-ditert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide);pentakis(platinum(2+)) has a molecular weight of 3986.55 g/mol, XLogP of 55.21, 20 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;2-[3-tert-butyl-5-[(4-tert-butyl-2-pyridinyl)oxy]benzene-6-id-1-yl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;bis(3,6-ditert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide);pentakis(platinum(2+)) is sourced from PubChem (CID 160804726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).