(24-carbazol-9-yl-21-phenyl-9,11,21,31-tetrazaheptacyclo[17.10.1.18,12.02,7.013,18.020,28.022,27]hentriaconta-1(30),2,4,6,8(31),9,11,13,15,17,19,22(27),23,25,28-pentadecaen-10-yl)-triphenylsilane

C63H41N5Si — CID 174002415

IUPAC(24-carbazol-9-yl-21-phenyl-9,11,21,31-tetrazaheptacyclo[17.10.1.18,12.02,7.013,18.020,28.022,27]hentriaconta-1(30),2,4,6,8(31),9,11,13,15,17,19,22(27),23,25,28-pentadecaen-10-yl)-triphenylsilane
SMILESc1ccc(-n2c3cc(-n4c5ccccc5c5ccccc54)ccc3c3cc4cc(c5ccccc5c5nc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)nc(n5)c5ccccc45)c32)cc1
InChIInChI=1S/C63H41N5Si/c1-5-21-43(22-6-1)68-59-41-44(67-57-35-19-17-31-50(57)51-32-18-20-36-58(51)67)37-38-52(59)56-40-42-39-55(60(56)68)49-30-14-16-34-54(49)62-64-61(53-33-15-13-29-48(42)53)65-63(66-62)69(45-23-7-2-8-24-45,46-25-9-3-10-26-46)47-27-11-4-12-28-47/h1-41H
InChIKeyMOHQMNIOZRVIMV-UHFFFAOYSA-N
MW896.14 g/mol
LogP12.62
Rot. Bonds6

About (24-carbazol-9-yl-21-phenyl-9,11,21,31-tetrazaheptacyclo[17.10.1.18,12.02,7.013,18.020,28.022,27]hentriaconta-1(30),2,4,6,8(31),9,11,13,15,17,19,22(27),23,25,28-pentadecaen-10-yl)-triphenylsilane

(24-carbazol-9-yl-21-phenyl-9,11,21,31-tetrazaheptacyclo[17.10.1.18,12.02,7.013,18.020,28.022,27]hentriaconta-1(30),2,4,6,8(31),9,11,13,15,17,19,22(27),23,25,28-pentadecaen-10-yl)-triphenylsilane (PubChem CID 174002415) has the molecular formula C63H41N5Si and a molecular weight of 896.14 g/mol. Its IUPAC name is (24-carbazol-9-yl-21-phenyl-9,11,21,31-tetrazaheptacyclo[17.10.1.18,12.02,7.013,18.020,28.022,27]hentriaconta-1(30),2,4,6,8(31),9,11,13,15,17,19,22(27),23,25,28-pentadecaen-10-yl)-triphenylsilane.

Molecular Properties

Compound Name(24-carbazol-9-yl-21-phenyl-9,11,21,31-tetrazaheptacyclo[17.10.1.18,12.02,7.013,18.020,28.022,27]hentriaconta-1(30),2,4,6,8(31),9,11,13,15,17,19,22(27),23,25,28-pentadecaen-10-yl)-triphenylsilane
PubChem CID174002415
Molecular FormulaC63H41N5Si
Molecular Weight896.14 g/mol
Exact Mass895.31
IUPAC Name(24-carbazol-9-yl-21-phenyl-9,11,21,31-tetrazaheptacyclo[17.10.1.18,12.02,7.013,18.020,28.022,27]hentriaconta-1(30),2,4,6,8(31),9,11,13,15,17,19,22(27),23,25,28-pentadecaen-10-yl)-triphenylsilane
SMILESc1ccc(-n2c3cc(-n4c5ccccc5c5ccccc54)ccc3c3cc4cc(c5ccccc5c5nc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)nc(n5)c5ccccc45)c32)cc1
InChIInChI=1S/C63H41N5Si/c1-5-21-43(22-6-1)68-59-41-44(67-57-35-19-17-31-50(57)51-32-18-20-36-58(51)67)37-38-52(59)56-40-42-39-55(60(56)68)49-30-14-16-34-54(49)62-64-61(53-33-15-13-29-48(42)53)65-63(66-62)69(45-23-7-2-8-24-45,46-25-9-3-10-26-46)47-27-11-4-12-28-47/h1-41H
InChIKeyMOHQMNIOZRVIMV-UHFFFAOYSA-N
XLogP12.62
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500896.14
LogP ≤ 512.62
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 (24-carbazol-9-yl-21-phenyl-9,11,21,31-tetrazaheptacyclo[17.10.1.18,12.02,7.013,18.020,28.022,27]hentriaconta-1(30),2,4,6,8(31),9,11,13,15,17,19,22(27),23,25,28-pentadecaen-10-yl)-triphenylsilane with MolForge

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Related Compounds

[24-(3,6-ditert-butylcarbazol-9-yl)-21-phenyl-9,11,21,31-tetrazaheptacyclo[17.10.1.18,12.02,7.013,18.020,28.022,27]hentriaconta-1(30),2,4,6,8(31),9,11,13,15,17,19,22(27),23,25,28-pentadecaen-10-yl]-triphenylsilane
CID 174002409
[3-(24-carbazol-9-yl-21-phenyl-9,11,21,31-tetrazaheptacyclo[17.10.1.18,12.02,7.013,18.020,28.022,27]hentriaconta-1(30),2,4,6,8(31),9,11,13,15,17,19,22(27),23,25,28-pentadecaen-10-yl)phenyl]-triphenylsilane
CID 174002428
25-carbazol-9-yl-10,21-diphenyl-9,11,21,31-tetrazaheptacyclo[17.10.1.18,12.02,7.013,18.020,28.022,27]hentriaconta-1(30),2,4,6,8(31),9,11,13,15,17,19,22(27),23,25,28-pentadecaene
CID 167023813
10,21-diphenyl-9,11,21,31-tetrazaheptacyclo[17.10.1.18,12.02,7.013,18.020,28.022,27]hentriaconta-1(30),2,4,6,8(31),9,11,13,15,17,19,22,24,26,28-pentadecaene
CID 167023752
[1-carbazol-9-yl-9-(9-phenylcarbazol-2-yl)carbazol-3-yl]-triphenylsilane
CID 170516355
triphenyl-[3-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-1-yl]silane
CID 170516450
triphenyl-[4-[2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166589115
2-carbazol-9-yl-9-phenylcarbazole
CID 118335086
[7-carbazol-9-yl-9-(9-phenylcarbazol-1-yl)carbazol-2-yl]-triphenylsilane
CID 170515020
[8-carbazol-9-yl-9-(9-phenylcarbazol-2-yl)carbazol-2-yl]-triphenylsilane
CID 170516283
[7-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]-triphenylsilane
CID 170516315
triphenyl-[3-[2-[2-(2-triphenylsilylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588700

Frequently Asked Questions

What is the IUPAC name of (24-carbazol-9-yl-21-phenyl-9,11,21,31-tetrazaheptacyclo[17.10.1.18,12.02,7.013,18.020,28.022,27]hentriaconta-1(30),2,4,6,8(31),9,11,13,15,17,19,22(27),23,25,28-pentadecaen-10-yl)-triphenylsilane?
The IUPAC name of (24-carbazol-9-yl-21-phenyl-9,11,21,31-tetrazaheptacyclo[17.10.1.18,12.02,7.013,18.020,28.022,27]hentriaconta-1(30),2,4,6,8(31),9,11,13,15,17,19,22(27),23,25,28-pentadecaen-10-yl)-triphenylsilane (CID 174002415) is (24-carbazol-9-yl-21-phenyl-9,11,21,31-tetrazaheptacyclo[17.10.1.18,12.02,7.013,18.020,28.022,27]hentriaconta-1(30),2,4,6,8(31),9,11,13,15,17,19,22(27),23,25,28-pentadecaen-10-yl)-triphenylsilane.
What is the SMILES notation for (24-carbazol-9-yl-21-phenyl-9,11,21,31-tetrazaheptacyclo[17.10.1.18,12.02,7.013,18.020,28.022,27]hentriaconta-1(30),2,4,6,8(31),9,11,13,15,17,19,22(27),23,25,28-pentadecaen-10-yl)-triphenylsilane?
The canonical SMILES for (24-carbazol-9-yl-21-phenyl-9,11,21,31-tetrazaheptacyclo[17.10.1.18,12.02,7.013,18.020,28.022,27]hentriaconta-1(30),2,4,6,8(31),9,11,13,15,17,19,22(27),23,25,28-pentadecaen-10-yl)-triphenylsilane is c1ccc(-n2c3cc(-n4c5ccccc5c5ccccc54)ccc3c3cc4cc(c5ccccc5c5nc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)nc(n5)c5ccccc45)c32)cc1.
What is the InChIKey of (24-carbazol-9-yl-21-phenyl-9,11,21,31-tetrazaheptacyclo[17.10.1.18,12.02,7.013,18.020,28.022,27]hentriaconta-1(30),2,4,6,8(31),9,11,13,15,17,19,22(27),23,25,28-pentadecaen-10-yl)-triphenylsilane?
The InChIKey is MOHQMNIOZRVIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H41N5Si/c1-5-21-43(22-6-1)68-59-41-44(67-57-35-19-17-31-50(57)51-32-18-20-36-58(51)67)37-38-52(59)56-40-42-39-55(60(56)68)49-30-14-16-34-54(49)62-64-61(53-33-15-13-29-48(42)53)65-63(66-62)69(45-23-7-2-8-24-45,46-25-9-3-10-26-46)47-27-11-4-12-28-47/h1-41H.
What are the key properties of (24-carbazol-9-yl-21-phenyl-9,11,21,31-tetrazaheptacyclo[17.10.1.18,12.02,7.013,18.020,28.022,27]hentriaconta-1(30),2,4,6,8(31),9,11,13,15,17,19,22(27),23,25,28-pentadecaen-10-yl)-triphenylsilane?
(24-carbazol-9-yl-21-phenyl-9,11,21,31-tetrazaheptacyclo[17.10.1.18,12.02,7.013,18.020,28.022,27]hentriaconta-1(30),2,4,6,8(31),9,11,13,15,17,19,22(27),23,25,28-pentadecaen-10-yl)-triphenylsilane has a molecular weight of 896.14 g/mol, XLogP of 12.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (24-carbazol-9-yl-21-phenyl-9,11,21,31-tetrazaheptacyclo[17.10.1.18,12.02,7.013,18.020,28.022,27]hentriaconta-1(30),2,4,6,8(31),9,11,13,15,17,19,22(27),23,25,28-pentadecaen-10-yl)-triphenylsilane is sourced from PubChem (CID 174002415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).