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

C59H47N5 — CID 167023727

IUPAC10-[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
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccccc1-c1nc2nc(n1)c1ccccc1c1cc(cc3c4ccccc4n(-c4ccccc4)c13)c1ccccc21
InChIInChI=1S/C59H47N5/c1-58(2,3)37-28-30-52-46(34-37)47-35-38(59(4,5)6)29-31-53(47)64(52)51-27-17-15-25-45(51)57-61-55-43-23-12-10-20-40(43)36-32-48(41-21-11-13-24-44(41)56(60-55)62-57)54-49(33-36)42-22-14-16-26-50(42)63(54)39-18-8-7-9-19-39/h7-35H,1-6H3
InChIKeyUQWTVNDPSGCBHD-UHFFFAOYSA-N
MW826.06 g/mol
LogP15.50
Rot. Bonds3

About 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

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 (PubChem CID 167023727) has the molecular formula C59H47N5 and a molecular weight of 826.06 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-[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
PubChem CID167023727
Molecular FormulaC59H47N5
Molecular Weight826.06 g/mol
Exact Mass825.38
IUPAC Name10-[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
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccccc1-c1nc2nc(n1)c1ccccc1c1cc(cc3c4ccccc4n(-c4ccccc4)c13)c1ccccc21
InChIInChI=1S/C59H47N5/c1-58(2,3)37-28-30-52-46(34-37)47-35-38(59(4,5)6)29-31-53(47)64(52)51-27-17-15-25-45(51)57-61-55-43-23-12-10-20-40(43)36-32-48(41-21-11-13-24-44(41)56(60-55)62-57)54-49(33-36)42-22-14-16-26-50(42)63(54)39-18-8-7-9-19-39/h7-35H,1-6H3
InChIKeyUQWTVNDPSGCBHD-UHFFFAOYSA-N
XLogP15.50
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.06
LogP ≤ 515.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 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
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
[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
9-[4-[2-(3-tert-butylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3,6-bis(2-phenylphenyl)carbazole
CID 167285139
9-[2-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 176824399
3-tert-butyl-9-[2-(2-carbazol-9-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 155463309
5-[2-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 170007620
1,3-bis(3,6-ditert-butylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;3,6-ditert-butyl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]carbazole
CID 158954992
3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole
CID 59399314
9-[2-(7-tert-butyl-9-phenylcarbazol-3-yl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 176824256
9-[2-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-carbazol-9-ylphenyl]phenyl]-3,6-ditert-butylcarbazole
CID 155636636
11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole;ethane
CID 144644723

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccccc1-c1nc2nc(n1)c1ccccc1c1cc(cc3c4ccccc4n(-c4ccccc4)c13)c1ccccc21.
What is the InChIKey of 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?
The InChIKey is UQWTVNDPSGCBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H47N5/c1-58(2,3)37-28-30-52-46(34-37)47-35-38(59(4,5)6)29-31-53(47)64(52)51-27-17-15-25-45(51)57-61-55-43-23-12-10-20-40(43)36-32-48(41-21-11-13-24-44(41)56(60-55)62-57)54-49(33-36)42-22-14-16-26-50(42)63(54)39-18-8-7-9-19-39/h7-35H,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 826.06 g/mol, XLogP of 15.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167023727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).