9-[3,5-bis(1-phenylbenzimidazol-2-yl)benzene-4-id-1-yl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-(4-ethynylphenyl)carbazol-3-yl]carbazole;platinum(2+)

C144H132N10Pt — CID 153452167

IUPAC9-[3,5-bis(1-phenylbenzimidazol-2-yl)benzene-4-id-1-yl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-(4-ethynylphenyl)carbazol-3-yl]carbazole;platinum(2+)
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)c1cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)ccc1n2-c1cc(-c2nc3ccccc3n2-c2ccccc2)[c-]c(-c2nc3ccccc3n2-c2ccccc2)c1.[C-]#Cc1ccc(-n2c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3c3cc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)ccc32)cc1.[Pt+2]
InChIInChI=1S/C84H74N7.C60H58N3.Pt/c1-81(2,3)54-31-37-71-63(46-54)64-47-55(82(4,5)6)32-38-72(64)87(71)60-35-41-75-67(50-60)68-51-61(88-73-39-33-56(83(7,8)9)48-65(73)66-49-57(84(10,11)12)34-40-74(66)88)36-42-76(68)89(75)62-44-52(79-85-69-27-19-21-29-77(69)90(79)58-23-15-13-16-24-58)43-53(45-62)80-86-70-28-20-22-30-78(70)91(80)59-25-17-14-18-26-59;1-14-37-15-21-42(22-16-37)61-55-29-23-43(62-51-25-17-38(57(2,3)4)31-45(51)46-32-39(58(5,6)7)18-26-52(46)62)35-49(55)50-36-44(24-30-56(50)61)63-53-27-19-40(59(8,9)10)33-47(53)48-34-41(60(11,12)13)20-28-54(48)63;/h13-42,44-51H,1-12H3;15-36H,2-13H3;/q2*-1;+2
InChIKeyZXWWZZPITQWUEO-UHFFFAOYSA-N
MW2197.79 g/mol
LogP38.08
Rot. Bonds10

About 9-[3,5-bis(1-phenylbenzimidazol-2-yl)benzene-4-id-1-yl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-(4-ethynylphenyl)carbazol-3-yl]carbazole;platinum(2+)

9-[3,5-bis(1-phenylbenzimidazol-2-yl)benzene-4-id-1-yl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-(4-ethynylphenyl)carbazol-3-yl]carbazole;platinum(2+) (PubChem CID 153452167) has the molecular formula C144H132N10Pt and a molecular weight of 2197.79 g/mol. Its IUPAC name is 9-[3,5-bis(1-phenylbenzimidazol-2-yl)benzene-4-id-1-yl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-(4-ethynylphenyl)carbazol-3-yl]carbazole;platinum(2+).

Molecular Properties

Compound Name9-[3,5-bis(1-phenylbenzimidazol-2-yl)benzene-4-id-1-yl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-(4-ethynylphenyl)carbazol-3-yl]carbazole;platinum(2+)
PubChem CID153452167
Molecular FormulaC144H132N10Pt
Molecular Weight2197.79 g/mol
Exact Mass2196.03
IUPAC Name9-[3,5-bis(1-phenylbenzimidazol-2-yl)benzene-4-id-1-yl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-(4-ethynylphenyl)carbazol-3-yl]carbazole;platinum(2+)
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)c1cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)ccc1n2-c1cc(-c2nc3ccccc3n2-c2ccccc2)[c-]c(-c2nc3ccccc3n2-c2ccccc2)c1.[C-]#Cc1ccc(-n2c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3c3cc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)ccc32)cc1.[Pt+2]
InChIInChI=1S/C84H74N7.C60H58N3.Pt/c1-81(2,3)54-31-37-71-63(46-54)64-47-55(82(4,5)6)32-38-72(64)87(71)60-35-41-75-67(50-60)68-51-61(88-73-39-33-56(83(7,8)9)48-65(73)66-49-57(84(10,11)12)34-40-74(66)88)36-42-76(68)89(75)62-44-52(79-85-69-27-19-21-29-77(69)90(79)58-23-15-13-16-24-58)43-53(45-62)80-86-70-28-20-22-30-78(70)91(80)59-25-17-14-18-26-59;1-14-37-15-21-42(22-16-37)61-55-29-23-43(62-51-25-17-38(57(2,3)4)31-45(51)46-32-39(58(5,6)7)18-26-52(46)62)35-49(55)50-36-44(24-30-56(50)61)63-53-27-19-40(59(8,9)10)33-47(53)48-34-41(60(11,12)13)20-28-54(48)63;/h13-42,44-51H,1-12H3;15-36H,2-13H3;/q2*-1;+2
InChIKeyZXWWZZPITQWUEO-UHFFFAOYSA-N
XLogP38.08
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms155
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002197.79
LogP ≤ 538.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 9-[3,5-bis(1-phenylbenzimidazol-2-yl)benzene-4-id-1-yl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-(4-ethynylphenyl)carbazol-3-yl]carbazole;platinum(2+) with MolForge

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Related Compounds

N,N-bis[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-4-ethynylaniline;3,6-ditert-butyl-9-[4-[2-[3-[1-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]benzimidazol-1-yl]phenyl]carbazole;platinum(2+)
CID 153452161
3,6-ditert-butyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole
CID 102188971
9-[4-[2-[3-[1-[4-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]benzimidazol-2-yl]phenyl]benzimidazol-1-yl]phenyl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole
CID 153452165
9-[3-carbazol-9-yl-5-[3-(4-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole;9-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]carbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole;3,6-ditert-butyl-9-[4-[3-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole
CID 159243159
3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole
CID 59399314
6,20-bis(3,6-ditert-butylcarbazol-9-yl)-10,16-diphenyl-10,16-diazahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
CID 146666361
9-(4-tert-butylphenyl)-3,6-di(carbazol-9-yl)carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-phenylcarbazol-3-yl]carbazole;3,6-di(carbazol-9-yl)-9-(4-methylphenyl)carbazole
CID 158450509
2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121355698
2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-tert-butyl-9,10-dinaphthalen-2-ylanthracene;9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3,5-di(carbazol-9-yl)phenyl]carbazole;9,10-dinaphthalen-2-ylanthracene
CID 159092150
3-tert-butyl-6-[4-[3-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]quinoxalin-2-yl]phenyl]-9-phenylcarbazole;9-(4-phenylphenyl)-3-[4-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole
CID 159534786
9-phenyl-3-(3-tritylcarbazol-9-yl)carbazole
CID 164756650
3,6-diphenyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole
CID 123380544

Frequently Asked Questions

What is the IUPAC name of 9-[3,5-bis(1-phenylbenzimidazol-2-yl)benzene-4-id-1-yl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-(4-ethynylphenyl)carbazol-3-yl]carbazole;platinum(2+)?
The IUPAC name of 9-[3,5-bis(1-phenylbenzimidazol-2-yl)benzene-4-id-1-yl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-(4-ethynylphenyl)carbazol-3-yl]carbazole;platinum(2+) (CID 153452167) is 9-[3,5-bis(1-phenylbenzimidazol-2-yl)benzene-4-id-1-yl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-(4-ethynylphenyl)carbazol-3-yl]carbazole;platinum(2+).
What is the SMILES notation for 9-[3,5-bis(1-phenylbenzimidazol-2-yl)benzene-4-id-1-yl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-(4-ethynylphenyl)carbazol-3-yl]carbazole;platinum(2+)?
The canonical SMILES for 9-[3,5-bis(1-phenylbenzimidazol-2-yl)benzene-4-id-1-yl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-(4-ethynylphenyl)carbazol-3-yl]carbazole;platinum(2+) is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)c1cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)ccc1n2-c1cc(-c2nc3ccccc3n2-c2ccccc2)[c-]c(-c2nc3ccccc3n2-c2ccccc2)c1.[C-]#Cc1ccc(-n2c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3c3cc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)ccc32)cc1.[Pt+2].
What is the InChIKey of 9-[3,5-bis(1-phenylbenzimidazol-2-yl)benzene-4-id-1-yl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-(4-ethynylphenyl)carbazol-3-yl]carbazole;platinum(2+)?
The InChIKey is ZXWWZZPITQWUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H74N7.C60H58N3.Pt/c1-81(2,3)54-31-37-71-63(46-54)64-47-55(82(4,5)6)32-38-72(64)87(71)60-35-41-75-67(50-60)68-51-61(88-73-39-33-56(83(7,8)9)48-65(73)66-49-57(84(10,11)12)34-40-74(66)88)36-42-76(68)89(75)62-44-52(79-85-69-27-19-21-29-77(69)90(79)58-23-15-13-16-24-58)43-53(45-62)80-86-70-28-20-22-30-78(70)91(80)59-25-17-14-18-26-59;1-14-37-15-21-42(22-16-37)61-55-29-23-43(62-51-25-17-38(57(2,3)4)31-45(51)46-32-39(58(5,6)7)18-26-52(46)62)35-49(55)50-36-44(24-30-56(50)61)63-53-27-19-40(59(8,9)10)33-47(53)48-34-41(60(11,12)13)20-28-54(48)63;/h13-42,44-51H,1-12H3;15-36H,2-13H3;/q2*-1;+2.
What are the key properties of 9-[3,5-bis(1-phenylbenzimidazol-2-yl)benzene-4-id-1-yl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-(4-ethynylphenyl)carbazol-3-yl]carbazole;platinum(2+)?
9-[3,5-bis(1-phenylbenzimidazol-2-yl)benzene-4-id-1-yl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-(4-ethynylphenyl)carbazol-3-yl]carbazole;platinum(2+) has a molecular weight of 2197.79 g/mol, XLogP of 38.08, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3,5-bis(1-phenylbenzimidazol-2-yl)benzene-4-id-1-yl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-(4-ethynylphenyl)carbazol-3-yl]carbazole;platinum(2+) is sourced from PubChem (CID 153452167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).