[4-[24-(3-carbazol-9-ylcarbazol-9-yl)-20,22,29-triazaheptacyclo[18.10.0.02,7.08,13.014,19.021,29.023,28]triaconta-1(30),2,4,6,8,10,12,14,16,18,21,23(28),24,26-tetradecaen-30-yl]phenyl]-triphenylsilane

C75H49N5Si — CID 168811316

IUPAC[4-[24-(3-carbazol-9-ylcarbazol-9-yl)-20,22,29-triazaheptacyclo[18.10.0.02,7.08,13.014,19.021,29.023,28]triaconta-1(30),2,4,6,8,10,12,14,16,18,21,23(28),24,26-tetradecaen-30-yl]phenyl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3c4n(c5nc6c(-n7c8ccccc8c8cc(-n9c%10ccccc%10c%10ccccc%109)ccc87)cccc6n35)-c3ccccc3-c3ccccc3-c3ccccc3-4)cc2)cc1
InChIInChI=1S/C75H49N5Si/c1-4-23-52(24-5-1)81(53-25-6-2-7-26-53,54-27-8-3-9-28-54)55-46-43-50(44-47-55)73-74-63-36-13-12-31-58(63)56-29-10-11-30-57(56)59-32-14-21-40-68(59)79(74)75-76-72-70(41-22-42-71(72)80(73)75)78-67-39-20-17-35-62(67)64-49-51(45-48-69(64)78)77-65-37-18-15-33-60(65)61-34-16-19-38-66(61)77/h1-49H
InChIKeyXBGZPEOJKGLGBX-UHFFFAOYSA-N
MW1048.34 g/mol
LogP15.83
Rot. Bonds7

About [4-[24-(3-carbazol-9-ylcarbazol-9-yl)-20,22,29-triazaheptacyclo[18.10.0.02,7.08,13.014,19.021,29.023,28]triaconta-1(30),2,4,6,8,10,12,14,16,18,21,23(28),24,26-tetradecaen-30-yl]phenyl]-triphenylsilane

[4-[24-(3-carbazol-9-ylcarbazol-9-yl)-20,22,29-triazaheptacyclo[18.10.0.02,7.08,13.014,19.021,29.023,28]triaconta-1(30),2,4,6,8,10,12,14,16,18,21,23(28),24,26-tetradecaen-30-yl]phenyl]-triphenylsilane (PubChem CID 168811316) has the molecular formula C75H49N5Si and a molecular weight of 1048.34 g/mol. Its IUPAC name is [4-[24-(3-carbazol-9-ylcarbazol-9-yl)-20,22,29-triazaheptacyclo[18.10.0.02,7.08,13.014,19.021,29.023,28]triaconta-1(30),2,4,6,8,10,12,14,16,18,21,23(28),24,26-tetradecaen-30-yl]phenyl]-triphenylsilane.

Molecular Properties

Compound Name[4-[24-(3-carbazol-9-ylcarbazol-9-yl)-20,22,29-triazaheptacyclo[18.10.0.02,7.08,13.014,19.021,29.023,28]triaconta-1(30),2,4,6,8,10,12,14,16,18,21,23(28),24,26-tetradecaen-30-yl]phenyl]-triphenylsilane
PubChem CID168811316
Molecular FormulaC75H49N5Si
Molecular Weight1048.34 g/mol
Exact Mass1047.38
IUPAC Name[4-[24-(3-carbazol-9-ylcarbazol-9-yl)-20,22,29-triazaheptacyclo[18.10.0.02,7.08,13.014,19.021,29.023,28]triaconta-1(30),2,4,6,8,10,12,14,16,18,21,23(28),24,26-tetradecaen-30-yl]phenyl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3c4n(c5nc6c(-n7c8ccccc8c8cc(-n9c%10ccccc%10c%10ccccc%109)ccc87)cccc6n35)-c3ccccc3-c3ccccc3-c3ccccc3-4)cc2)cc1
InChIInChI=1S/C75H49N5Si/c1-4-23-52(24-5-1)81(53-25-6-2-7-26-53,54-27-8-3-9-28-54)55-46-43-50(44-47-55)73-74-63-36-13-12-31-58(63)56-29-10-11-30-57(56)59-32-14-21-40-68(59)79(74)75-76-72-70(41-22-42-71(72)80(73)75)78-67-39-20-17-35-62(67)64-49-51(45-48-69(64)78)77-65-37-18-15-33-60(65)61-34-16-19-38-66(61)77/h1-49H
InChIKeyXBGZPEOJKGLGBX-UHFFFAOYSA-N
XLogP15.83
TPSA32.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001048.34
LogP ≤ 515.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-[24-(3-carbazol-9-ylcarbazol-9-yl)-20,22,29-triazaheptacyclo[18.10.0.02,7.08,13.014,19.021,29.023,28]triaconta-1(30),2,4,6,8,10,12,14,16,18,21,23(28),24,26-tetradecaen-30-yl]phenyl]-triphenylsilane with MolForge

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Related Compounds

[4-[2-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane
CID 177276588
[3-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-triphenylsilane
CID 162490205
[9-[2-[2-[3-(3-methylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]-triphenylsilane
CID 174139185
triphenyl-[9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-3-yl]silane
CID 170515042
triphenyl-[3-[2-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane
CID 169290688
triphenyl-[6-phenyl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-3-yl]silane
CID 170515246
[6-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazol-4-yl]-triphenylsilane
CID 169290711
triphenyl-[9-[6-phenyl-9-(2-phenylphenyl)carbazol-2-yl]carbazol-2-yl]silane
CID 170515763
[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 159773868
[6-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-3-yl]carbazol-1-yl]-triphenylsilane
CID 170515996
triphenyl-[4-[4-[3-(3-phenylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588633
[4-[3-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]carbazol-9-yl]-3,5-diphenylphenyl]-diphenyl-(3-phenylphenyl)silane
CID 168762463

Frequently Asked Questions

What is the IUPAC name of [4-[24-(3-carbazol-9-ylcarbazol-9-yl)-20,22,29-triazaheptacyclo[18.10.0.02,7.08,13.014,19.021,29.023,28]triaconta-1(30),2,4,6,8,10,12,14,16,18,21,23(28),24,26-tetradecaen-30-yl]phenyl]-triphenylsilane?
The IUPAC name of [4-[24-(3-carbazol-9-ylcarbazol-9-yl)-20,22,29-triazaheptacyclo[18.10.0.02,7.08,13.014,19.021,29.023,28]triaconta-1(30),2,4,6,8,10,12,14,16,18,21,23(28),24,26-tetradecaen-30-yl]phenyl]-triphenylsilane (CID 168811316) is [4-[24-(3-carbazol-9-ylcarbazol-9-yl)-20,22,29-triazaheptacyclo[18.10.0.02,7.08,13.014,19.021,29.023,28]triaconta-1(30),2,4,6,8,10,12,14,16,18,21,23(28),24,26-tetradecaen-30-yl]phenyl]-triphenylsilane.
What is the SMILES notation for [4-[24-(3-carbazol-9-ylcarbazol-9-yl)-20,22,29-triazaheptacyclo[18.10.0.02,7.08,13.014,19.021,29.023,28]triaconta-1(30),2,4,6,8,10,12,14,16,18,21,23(28),24,26-tetradecaen-30-yl]phenyl]-triphenylsilane?
The canonical SMILES for [4-[24-(3-carbazol-9-ylcarbazol-9-yl)-20,22,29-triazaheptacyclo[18.10.0.02,7.08,13.014,19.021,29.023,28]triaconta-1(30),2,4,6,8,10,12,14,16,18,21,23(28),24,26-tetradecaen-30-yl]phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3c4n(c5nc6c(-n7c8ccccc8c8cc(-n9c%10ccccc%10c%10ccccc%109)ccc87)cccc6n35)-c3ccccc3-c3ccccc3-c3ccccc3-4)cc2)cc1.
What is the InChIKey of [4-[24-(3-carbazol-9-ylcarbazol-9-yl)-20,22,29-triazaheptacyclo[18.10.0.02,7.08,13.014,19.021,29.023,28]triaconta-1(30),2,4,6,8,10,12,14,16,18,21,23(28),24,26-tetradecaen-30-yl]phenyl]-triphenylsilane?
The InChIKey is XBGZPEOJKGLGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H49N5Si/c1-4-23-52(24-5-1)81(53-25-6-2-7-26-53,54-27-8-3-9-28-54)55-46-43-50(44-47-55)73-74-63-36-13-12-31-58(63)56-29-10-11-30-57(56)59-32-14-21-40-68(59)79(74)75-76-72-70(41-22-42-71(72)80(73)75)78-67-39-20-17-35-62(67)64-49-51(45-48-69(64)78)77-65-37-18-15-33-60(65)61-34-16-19-38-66(61)77/h1-49H.
What are the key properties of [4-[24-(3-carbazol-9-ylcarbazol-9-yl)-20,22,29-triazaheptacyclo[18.10.0.02,7.08,13.014,19.021,29.023,28]triaconta-1(30),2,4,6,8,10,12,14,16,18,21,23(28),24,26-tetradecaen-30-yl]phenyl]-triphenylsilane?
[4-[24-(3-carbazol-9-ylcarbazol-9-yl)-20,22,29-triazaheptacyclo[18.10.0.02,7.08,13.014,19.021,29.023,28]triaconta-1(30),2,4,6,8,10,12,14,16,18,21,23(28),24,26-tetradecaen-30-yl]phenyl]-triphenylsilane has a molecular weight of 1048.34 g/mol, XLogP of 15.83, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[24-(3-carbazol-9-ylcarbazol-9-yl)-20,22,29-triazaheptacyclo[18.10.0.02,7.08,13.014,19.021,29.023,28]triaconta-1(30),2,4,6,8,10,12,14,16,18,21,23(28),24,26-tetradecaen-30-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 168811316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).