6-(2,3,4,5,6-pentadeuteriophenyl)-N,N-bis[4-(2-phenylpropan-2-yl)phenyl]-9-[4-(5,10,10-triphenylsilanthren-5-yl)phenyl]carbazol-3-amine

C84H68N2Si2 — CID 164786950

IUPAC6-(2,3,4,5,6-pentadeuteriophenyl)-N,N-bis[4-(2-phenylpropan-2-yl)phenyl]-9-[4-(5,10,10-triphenylsilanthren-5-yl)phenyl]carbazol-3-amine
SMILES[2H]c1c([2H])c([2H])c(-c2ccc3c(c2)c2cc(N(c4ccc(C(C)(C)c5ccccc5)cc4)c4ccc(C(C)(C)c5ccccc5)cc4)ccc2n3-c2ccc([Si]3(c4ccccc4)c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)cc2)c([2H])c1[2H]
InChIInChI=1S/C84H68N2Si2/c1-83(2,63-29-13-6-14-30-63)65-44-48-67(49-45-65)85(68-50-46-66(47-51-68)84(3,4)64-31-15-7-16-32-64)70-54-58-78-76(60-70)75-59-62(61-27-11-5-12-28-61)43-57-77(75)86(78)69-52-55-74(56-53-69)88(73-37-21-10-22-38-73)81-41-25-23-39-79(81)87(71-33-17-8-18-34-71,72-35-19-9-20-36-72)80-40-24-26-42-82(80)88/h5-60H,1-4H3/i5D,11D,12D,27D,28D
InChIKeyNXRKKHKQWSTARY-QGNUJUBLSA-N
MW1166.68 g/mol
LogP15.64
Rot. Bonds13

About 6-(2,3,4,5,6-pentadeuteriophenyl)-N,N-bis[4-(2-phenylpropan-2-yl)phenyl]-9-[4-(5,10,10-triphenylsilanthren-5-yl)phenyl]carbazol-3-amine

6-(2,3,4,5,6-pentadeuteriophenyl)-N,N-bis[4-(2-phenylpropan-2-yl)phenyl]-9-[4-(5,10,10-triphenylsilanthren-5-yl)phenyl]carbazol-3-amine (PubChem CID 164786950) has the molecular formula C84H68N2Si2 and a molecular weight of 1166.68 g/mol. Its IUPAC name is 6-(2,3,4,5,6-pentadeuteriophenyl)-N,N-bis[4-(2-phenylpropan-2-yl)phenyl]-9-[4-(5,10,10-triphenylsilanthren-5-yl)phenyl]carbazol-3-amine.

Molecular Properties

Compound Name6-(2,3,4,5,6-pentadeuteriophenyl)-N,N-bis[4-(2-phenylpropan-2-yl)phenyl]-9-[4-(5,10,10-triphenylsilanthren-5-yl)phenyl]carbazol-3-amine
PubChem CID164786950
Molecular FormulaC84H68N2Si2
Molecular Weight1166.68 g/mol
Exact Mass1165.52
IUPAC Name6-(2,3,4,5,6-pentadeuteriophenyl)-N,N-bis[4-(2-phenylpropan-2-yl)phenyl]-9-[4-(5,10,10-triphenylsilanthren-5-yl)phenyl]carbazol-3-amine
SMILES[2H]c1c([2H])c([2H])c(-c2ccc3c(c2)c2cc(N(c4ccc(C(C)(C)c5ccccc5)cc4)c4ccc(C(C)(C)c5ccccc5)cc4)ccc2n3-c2ccc([Si]3(c4ccccc4)c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)cc2)c([2H])c1[2H]
InChIInChI=1S/C84H68N2Si2/c1-83(2,63-29-13-6-14-30-63)65-44-48-67(49-45-65)85(68-50-46-66(47-51-68)84(3,4)64-31-15-7-16-32-64)70-54-58-78-76(60-70)75-59-62(61-27-11-5-12-28-61)43-57-77(75)86(78)69-52-55-74(56-53-69)88(73-37-21-10-22-38-73)81-41-25-23-39-79(81)87(71-33-17-8-18-34-71,72-35-19-9-20-36-72)80-40-24-26-42-82(80)88/h5-60H,1-4H3/i5D,11D,12D,27D,28D
InChIKeyNXRKKHKQWSTARY-QGNUJUBLSA-N
XLogP15.64
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001166.68
LogP ≤ 515.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(2,3,4,5,6-pentadeuteriophenyl)-N,N-bis[4-(2-phenylpropan-2-yl)phenyl]-9-[4-(5,10,10-triphenylsilanthren-5-yl)phenyl]carbazol-3-amine with MolForge

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Related Compounds

N,N-bis(4-tert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-(5,10,10-triphenylsilanthren-5-yl)phenyl]carbazol-3-amine
CID 164786983
N,N-bis(4-tert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-(2-phenylpropan-2-yl)phenyl]carbazol-3-amine;N,N-bis(4-methylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-(2-phenylpropan-2-yl)phenyl]carbazol-3-amine;6-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenyl-9-[4-(2-phenylpropan-2-yl)phenyl]carbazol-3-amine
CID 163830585
3-[3,6-bis(2-phenylpropan-2-yl)carbazol-9-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-9-[3-(5,10,10-triphenylsilanthren-5-yl)phenyl]carbazole
CID 164787003
N,N-bis(4-tert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-9-[3-(2-phenylpropan-2-yl)phenyl]carbazol-3-amine
CID 162480060
N,9-diphenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]carbazol-3-amine
CID 168810563
9-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-(3,6-dimethylcarbazol-9-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 162480019
2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
CID 165384298
4-N-[6-tert-butyl-9-(4-phenylphenyl)carbazol-3-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59844233
N-(4-tert-butylphenyl)-4-[9-(4-tert-butylphenyl)carbazol-3-yl]-N-phenylaniline
CID 143859069
N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121312844
N-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-5,5-diphenyl-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)benzo[b][1]benzosilol-2-amine
CID 144766102
2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
CID 165384192

Frequently Asked Questions

What is the IUPAC name of 6-(2,3,4,5,6-pentadeuteriophenyl)-N,N-bis[4-(2-phenylpropan-2-yl)phenyl]-9-[4-(5,10,10-triphenylsilanthren-5-yl)phenyl]carbazol-3-amine?
The IUPAC name of 6-(2,3,4,5,6-pentadeuteriophenyl)-N,N-bis[4-(2-phenylpropan-2-yl)phenyl]-9-[4-(5,10,10-triphenylsilanthren-5-yl)phenyl]carbazol-3-amine (CID 164786950) is 6-(2,3,4,5,6-pentadeuteriophenyl)-N,N-bis[4-(2-phenylpropan-2-yl)phenyl]-9-[4-(5,10,10-triphenylsilanthren-5-yl)phenyl]carbazol-3-amine.
What is the SMILES notation for 6-(2,3,4,5,6-pentadeuteriophenyl)-N,N-bis[4-(2-phenylpropan-2-yl)phenyl]-9-[4-(5,10,10-triphenylsilanthren-5-yl)phenyl]carbazol-3-amine?
The canonical SMILES for 6-(2,3,4,5,6-pentadeuteriophenyl)-N,N-bis[4-(2-phenylpropan-2-yl)phenyl]-9-[4-(5,10,10-triphenylsilanthren-5-yl)phenyl]carbazol-3-amine is [2H]c1c([2H])c([2H])c(-c2ccc3c(c2)c2cc(N(c4ccc(C(C)(C)c5ccccc5)cc4)c4ccc(C(C)(C)c5ccccc5)cc4)ccc2n3-c2ccc([Si]3(c4ccccc4)c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)cc2)c([2H])c1[2H].
What is the InChIKey of 6-(2,3,4,5,6-pentadeuteriophenyl)-N,N-bis[4-(2-phenylpropan-2-yl)phenyl]-9-[4-(5,10,10-triphenylsilanthren-5-yl)phenyl]carbazol-3-amine?
The InChIKey is NXRKKHKQWSTARY-QGNUJUBLSA-N. The full InChI is InChI=1S/C84H68N2Si2/c1-83(2,63-29-13-6-14-30-63)65-44-48-67(49-45-65)85(68-50-46-66(47-51-68)84(3,4)64-31-15-7-16-32-64)70-54-58-78-76(60-70)75-59-62(61-27-11-5-12-28-61)43-57-77(75)86(78)69-52-55-74(56-53-69)88(73-37-21-10-22-38-73)81-41-25-23-39-79(81)87(71-33-17-8-18-34-71,72-35-19-9-20-36-72)80-40-24-26-42-82(80)88/h5-60H,1-4H3/i5D,11D,12D,27D,28D.
What are the key properties of 6-(2,3,4,5,6-pentadeuteriophenyl)-N,N-bis[4-(2-phenylpropan-2-yl)phenyl]-9-[4-(5,10,10-triphenylsilanthren-5-yl)phenyl]carbazol-3-amine?
6-(2,3,4,5,6-pentadeuteriophenyl)-N,N-bis[4-(2-phenylpropan-2-yl)phenyl]-9-[4-(5,10,10-triphenylsilanthren-5-yl)phenyl]carbazol-3-amine has a molecular weight of 1166.68 g/mol, XLogP of 15.64, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3,4,5,6-pentadeuteriophenyl)-N,N-bis[4-(2-phenylpropan-2-yl)phenyl]-9-[4-(5,10,10-triphenylsilanthren-5-yl)phenyl]carbazol-3-amine is sourced from PubChem (CID 164786950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).