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

C51H31N5 — CID 167023813

IUPAC25-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
SMILESc1ccc(-c2nc3nc(n2)c2ccccc2c2cc(cc4c5cc(-n6c7ccccc7c7ccccc76)ccc5n(-c5ccccc5)c24)c2ccccc32)cc1
InChIInChI=1S/C51H31N5/c1-3-15-32(16-4-1)49-52-50-40-23-9-7-19-36(40)33-29-43(37-20-8-10-24-41(37)51(53-49)54-50)48-44(30-33)42-31-35(27-28-47(42)56(48)34-17-5-2-6-18-34)55-45-25-13-11-21-38(45)39-22-12-14-26-46(39)55/h1-31H
InChIKeyJRMSECLXGCRDAY-UHFFFAOYSA-N
MW713.84 g/mol
LogP12.91
Rot. Bonds3

About 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

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 (PubChem CID 167023813) has the molecular formula C51H31N5 and a molecular weight of 713.84 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name25-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
PubChem CID167023813
Molecular FormulaC51H31N5
Molecular Weight713.84 g/mol
Exact Mass713.26
IUPAC Name25-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
SMILESc1ccc(-c2nc3nc(n2)c2ccccc2c2cc(cc4c5cc(-n6c7ccccc7c7ccccc76)ccc5n(-c5ccccc5)c24)c2ccccc32)cc1
InChIInChI=1S/C51H31N5/c1-3-15-32(16-4-1)49-52-50-40-23-9-7-19-36(40)33-29-43(37-20-8-10-24-41(37)51(53-49)54-50)48-44(30-33)42-31-35(27-28-47(42)56(48)34-17-5-2-6-18-34)55-45-25-13-11-21-38(45)39-22-12-14-26-46(39)55/h1-31H
InChIKeyJRMSECLXGCRDAY-UHFFFAOYSA-N
XLogP12.91
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.84
LogP ≤ 512.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
14,29-diphenyl-33-(2-phenylcarbazol-9-yl)-13,15,29,39-tetrazanonacyclo[25.10.1.112,16.02,11.04,9.017,26.019,24.028,36.030,35]nonatriaconta-1(38),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,30(35),31,33,36-nonadecaene
CID 167023760
[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
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 162055470
3-carbazol-9-yl-9-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 148633406
3-carbazol-9-yl-9-[4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 130353815
3-carbazol-9-yl-9-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 153459439
3-carbazol-9-yl-9-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]carbazole
CID 90211361
(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
10-[2-(3,6-ditert-butylcarbazol-9-yl)phenyl]-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),9,11,13,15,17,19,22,24,26,28-pentadecaene
CID 167023727
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-carbazol-9-yl-11-phenylindolo[2,3-a]carbazole
CID 168729522
2-carbazol-9-yl-5-[3-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155477424

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc3nc(n2)c2ccccc2c2cc(cc4c5cc(-n6c7ccccc7c7ccccc76)ccc5n(-c5ccccc5)c24)c2ccccc32)cc1.
What is the InChIKey of 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?
The InChIKey is JRMSECLXGCRDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N5/c1-3-15-32(16-4-1)49-52-50-40-23-9-7-19-36(40)33-29-43(37-20-8-10-24-41(37)51(53-49)54-50)48-44(30-33)42-31-35(27-28-47(42)56(48)34-17-5-2-6-18-34)55-45-25-13-11-21-38(45)39-22-12-14-26-46(39)55/h1-31H.
What are the key properties of 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?
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 has a molecular weight of 713.84 g/mol, XLogP of 12.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167023813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).