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+)

C128H113N11O2Pt — CID 153452161

IUPACN,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+)
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-n2c(-c3[c-]c(-c4nc5ccccc5n4-c4ccc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)cc4)ccc3)nc3ccccc32)cc1.[C-]#Cc1ccc(N(c2ccc(-c3ccc(-c4nnc(-c5ccc(C(C)(C)C)cc5)o4)cc3)cc2)c2ccc(-c3ccc(-c4nnc(-c5ccc(C(C)(C)C)cc5)o4)cc3)cc2)cc1.[Pt+2]
InChIInChI=1S/C72H67N6.C56H46N5O2.Pt/c1-69(2,3)47-24-36-61-55(41-47)56-42-48(70(4,5)6)25-37-62(56)75(61)51-28-32-53(33-29-51)77-65-22-15-13-20-59(65)73-67(77)45-18-17-19-46(40-45)68-74-60-21-14-16-23-66(60)78(68)54-34-30-52(31-35-54)76-63-38-26-49(71(7,8)9)43-57(63)58-44-50(72(10,11)12)27-39-64(58)76;1-8-37-9-31-48(32-10-37)61(49-33-23-40(24-34-49)38-11-15-42(16-12-38)51-57-59-53(62-51)44-19-27-46(28-20-44)55(2,3)4)50-35-25-41(26-36-50)39-13-17-43(18-14-39)52-58-60-54(63-52)45-21-29-47(30-22-45)56(5,6)7;/h13-39,41-44H,1-12H3;9-36H,2-7H3;/q2*-1;+2
InChIKeyYSQVGDCCSQAAJK-UHFFFAOYSA-N
MW2032.46 g/mol
LogP33.34
Rot. Bonds15

About 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+)

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+) (PubChem CID 153452161) has the molecular formula C128H113N11O2Pt and a molecular weight of 2032.46 g/mol. Its IUPAC name is 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+).

Molecular Properties

Compound NameN,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+)
PubChem CID153452161
Molecular FormulaC128H113N11O2Pt
Molecular Weight2032.46 g/mol
Exact Mass2030.87
IUPAC NameN,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+)
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-n2c(-c3[c-]c(-c4nc5ccccc5n4-c4ccc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)cc4)ccc3)nc3ccccc32)cc1.[C-]#Cc1ccc(N(c2ccc(-c3ccc(-c4nnc(-c5ccc(C(C)(C)C)cc5)o4)cc3)cc2)c2ccc(-c3ccc(-c4nnc(-c5ccc(C(C)(C)C)cc5)o4)cc3)cc2)cc1.[Pt+2]
InChIInChI=1S/C72H67N6.C56H46N5O2.Pt/c1-69(2,3)47-24-36-61-55(41-47)56-42-48(70(4,5)6)25-37-62(56)75(61)51-28-32-53(33-29-51)77-65-22-15-13-20-59(65)73-67(77)45-18-17-19-46(40-45)68-74-60-21-14-16-23-66(60)78(68)54-34-30-52(31-35-54)76-63-38-26-49(71(7,8)9)43-57(63)58-44-50(72(10,11)12)27-39-64(58)76;1-8-37-9-31-48(32-10-37)61(49-33-23-40(24-34-49)38-11-15-42(16-12-38)51-57-59-53(62-51)44-19-27-46(28-20-44)55(2,3)4)50-35-25-41(26-36-50)39-13-17-43(18-14-39)52-58-60-54(63-52)45-21-29-47(30-22-45)56(5,6)7;/h13-39,41-44H,1-12H3;9-36H,2-7H3;/q2*-1;+2
InChIKeyYSQVGDCCSQAAJK-UHFFFAOYSA-N
XLogP33.34
TPSA126.58 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002032.46
LogP ≤ 533.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 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+) with MolForge

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Related Compounds

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
2-phenyl-5-[4-[tris[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]methyl]phenyl]-1,3,4-oxadiazole
CID 122429669
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
1-N,3-N-bis[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 59816003
4-N-[6-tert-butyl-9-(4-phenylphenyl)carbazol-3-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59844233
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
9-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(3-phenylphenyl)carbazol-3-amine
CID 58903542
N-(4-tert-butylphenyl)-4-[9-(4-tert-butylphenyl)carbazol-3-yl]-N-phenylaniline
CID 143859069
N-[4-[4-[3-[4-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-9-carbazol-9-yl-7-[4-(4-carbazol-9-ylphenyl)phenyl]decan-5-yl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 59742274
N,9-diphenyl-N-[4-[5-(3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine
CID 58903714
4-(4-carbazol-9-ylphenyl)-N-[4-[4-(N-[4-(4-carbazol-9-ylphenyl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline;N-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-4-[4-(N-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]anilino)phenyl]-N-phenylaniline;N-[4-(3,6-diethylcarbazol-9-yl)phenyl]-4-[4-(N-[4-(3,6-diethylcarbazol-9-yl)phenyl]anilino)phenyl]-N-phenylaniline
CID 160593676

Frequently Asked Questions

What is the IUPAC name of 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+)?
The IUPAC name of 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) is 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+).
What is the SMILES notation for 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+)?
The canonical SMILES for 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+) is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-n2c(-c3[c-]c(-c4nc5ccccc5n4-c4ccc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)cc4)ccc3)nc3ccccc32)cc1.[C-]#Cc1ccc(N(c2ccc(-c3ccc(-c4nnc(-c5ccc(C(C)(C)C)cc5)o4)cc3)cc2)c2ccc(-c3ccc(-c4nnc(-c5ccc(C(C)(C)C)cc5)o4)cc3)cc2)cc1.[Pt+2].
What is the InChIKey of 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+)?
The InChIKey is YSQVGDCCSQAAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H67N6.C56H46N5O2.Pt/c1-69(2,3)47-24-36-61-55(41-47)56-42-48(70(4,5)6)25-37-62(56)75(61)51-28-32-53(33-29-51)77-65-22-15-13-20-59(65)73-67(77)45-18-17-19-46(40-45)68-74-60-21-14-16-23-66(60)78(68)54-34-30-52(31-35-54)76-63-38-26-49(71(7,8)9)43-57(63)58-44-50(72(10,11)12)27-39-64(58)76;1-8-37-9-31-48(32-10-37)61(49-33-23-40(24-34-49)38-11-15-42(16-12-38)51-57-59-53(62-51)44-19-27-46(28-20-44)55(2,3)4)50-35-25-41(26-36-50)39-13-17-43(18-14-39)52-58-60-54(63-52)45-21-29-47(30-22-45)56(5,6)7;/h13-39,41-44H,1-12H3;9-36H,2-7H3;/q2*-1;+2.
What are the key properties of 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+)?
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+) has a molecular weight of 2032.46 g/mol, XLogP of 33.34, 15 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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+) is sourced from PubChem (CID 153452161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).