12,27-di(carbazol-9-yl)-15,24-diphenyl-15,24-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.025,30]triaconta-1(23),2,4,6,8(16),9(14),10,12,17,19,21,25(30),26,28-tetradecaene

C64H40N4 — CID 145241488

IUPAC12,27-di(carbazol-9-yl)-15,24-diphenyl-15,24-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.025,30]triaconta-1(23),2,4,6,8(16),9(14),10,12,17,19,21,25(30),26,28-tetradecaene
SMILESc1ccc(-n2c3c(c4ccc(-n5c6ccccc6c6ccccc65)cc42)-c2ccccc2-c2c(n(-c4ccccc4)c4cc(-n5c6ccccc6c6ccccc65)ccc24)-c2ccccc2-3)cc1
InChIInChI=1S/C64H40N4/c1-3-19-41(20-4-1)67-59-39-43(65-55-31-15-11-23-45(55)46-24-12-16-32-56(46)65)35-37-53(59)61-49-27-7-8-28-50(49)62-54-38-36-44(66-57-33-17-13-25-47(57)48-26-14-18-34-58(48)66)40-60(54)68(42-21-5-2-6-22-42)64(62)52-30-10-9-29-51(52)63(61)67/h1-40H/b61-49-,62-50-,63-51+,64-52+
InChIKeyMCQZHBKYFNGMBT-QBOMFXGMSA-N
MW865.05 g/mol
LogP16.75
Rot. Bonds4

About 12,27-di(carbazol-9-yl)-15,24-diphenyl-15,24-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.025,30]triaconta-1(23),2,4,6,8(16),9(14),10,12,17,19,21,25(30),26,28-tetradecaene

12,27-di(carbazol-9-yl)-15,24-diphenyl-15,24-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.025,30]triaconta-1(23),2,4,6,8(16),9(14),10,12,17,19,21,25(30),26,28-tetradecaene (PubChem CID 145241488) has the molecular formula C64H40N4 and a molecular weight of 865.05 g/mol. Its IUPAC name is 12,27-di(carbazol-9-yl)-15,24-diphenyl-15,24-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.025,30]triaconta-1(23),2,4,6,8(16),9(14),10,12,17,19,21,25(30),26,28-tetradecaene.

Molecular Properties

Compound Name12,27-di(carbazol-9-yl)-15,24-diphenyl-15,24-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.025,30]triaconta-1(23),2,4,6,8(16),9(14),10,12,17,19,21,25(30),26,28-tetradecaene
PubChem CID145241488
Molecular FormulaC64H40N4
Molecular Weight865.05 g/mol
Exact Mass864.33
IUPAC Name12,27-di(carbazol-9-yl)-15,24-diphenyl-15,24-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.025,30]triaconta-1(23),2,4,6,8(16),9(14),10,12,17,19,21,25(30),26,28-tetradecaene
SMILESc1ccc(-n2c3c(c4ccc(-n5c6ccccc6c6ccccc65)cc42)-c2ccccc2-c2c(n(-c4ccccc4)c4cc(-n5c6ccccc6c6ccccc65)ccc24)-c2ccccc2-3)cc1
InChIInChI=1S/C64H40N4/c1-3-19-41(20-4-1)67-59-39-43(65-55-31-15-11-23-45(55)46-24-12-16-32-56(46)65)35-37-53(59)61-49-27-7-8-28-50(49)62-54-38-36-44(66-57-33-17-13-25-47(57)48-26-14-18-34-58(48)66)40-60(54)68(42-21-5-2-6-22-42)64(62)52-30-10-9-29-51(52)63(61)67/h1-40H/b61-49-,62-50-,63-51+,64-52+
InChIKeyMCQZHBKYFNGMBT-QBOMFXGMSA-N
XLogP16.75
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.05
LogP ≤ 516.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 12,27-di(carbazol-9-yl)-15,24-diphenyl-15,24-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.025,30]triaconta-1(23),2,4,6,8(16),9(14),10,12,17,19,21,25(30),26,28-tetradecaene with MolForge

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Related Compounds

2-carbazol-9-yl-9-phenylcarbazole
CID 118335086
2-(3-carbazol-9-ylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121274440
15,24-dinaphthalen-2-yl-15,24-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.025,30]triaconta-1(23),2,4,6,8(16),9,11,13,17,19,21,25,27,29-tetradecaene
CID 145241644
2-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 170659707
2-carbazol-9-yl-9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole
CID 118335077
2-bromo-9-(9-phenylcarbazol-2-yl)carbazole
CID 167514320
2-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 118404973
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
3-carbazol-9-yl-6-methyl-9-phenylcarbazole;2-(3-methylcarbazol-9-yl)-9-phenylcarbazole
CID 158584509
2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 118504684
5,5'-bis(9-phenylcarbazol-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]
CID 90337261
3-carbazol-9-yl-9-phenylcarbazole;ethane
CID 145117169

Frequently Asked Questions

What is the IUPAC name of 12,27-di(carbazol-9-yl)-15,24-diphenyl-15,24-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.025,30]triaconta-1(23),2,4,6,8(16),9(14),10,12,17,19,21,25(30),26,28-tetradecaene?
The IUPAC name of 12,27-di(carbazol-9-yl)-15,24-diphenyl-15,24-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.025,30]triaconta-1(23),2,4,6,8(16),9(14),10,12,17,19,21,25(30),26,28-tetradecaene (CID 145241488) is 12,27-di(carbazol-9-yl)-15,24-diphenyl-15,24-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.025,30]triaconta-1(23),2,4,6,8(16),9(14),10,12,17,19,21,25(30),26,28-tetradecaene.
What is the SMILES notation for 12,27-di(carbazol-9-yl)-15,24-diphenyl-15,24-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.025,30]triaconta-1(23),2,4,6,8(16),9(14),10,12,17,19,21,25(30),26,28-tetradecaene?
The canonical SMILES for 12,27-di(carbazol-9-yl)-15,24-diphenyl-15,24-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.025,30]triaconta-1(23),2,4,6,8(16),9(14),10,12,17,19,21,25(30),26,28-tetradecaene is c1ccc(-n2c3c(c4ccc(-n5c6ccccc6c6ccccc65)cc42)-c2ccccc2-c2c(n(-c4ccccc4)c4cc(-n5c6ccccc6c6ccccc65)ccc24)-c2ccccc2-3)cc1.
What is the InChIKey of 12,27-di(carbazol-9-yl)-15,24-diphenyl-15,24-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.025,30]triaconta-1(23),2,4,6,8(16),9(14),10,12,17,19,21,25(30),26,28-tetradecaene?
The InChIKey is MCQZHBKYFNGMBT-QBOMFXGMSA-N. The full InChI is InChI=1S/C64H40N4/c1-3-19-41(20-4-1)67-59-39-43(65-55-31-15-11-23-45(55)46-24-12-16-32-56(46)65)35-37-53(59)61-49-27-7-8-28-50(49)62-54-38-36-44(66-57-33-17-13-25-47(57)48-26-14-18-34-58(48)66)40-60(54)68(42-21-5-2-6-22-42)64(62)52-30-10-9-29-51(52)63(61)67/h1-40H/b61-49-,62-50-,63-51+,64-52+.
What are the key properties of 12,27-di(carbazol-9-yl)-15,24-diphenyl-15,24-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.025,30]triaconta-1(23),2,4,6,8(16),9(14),10,12,17,19,21,25(30),26,28-tetradecaene?
12,27-di(carbazol-9-yl)-15,24-diphenyl-15,24-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.025,30]triaconta-1(23),2,4,6,8(16),9(14),10,12,17,19,21,25(30),26,28-tetradecaene has a molecular weight of 865.05 g/mol, XLogP of 16.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12,27-di(carbazol-9-yl)-15,24-diphenyl-15,24-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.025,30]triaconta-1(23),2,4,6,8(16),9(14),10,12,17,19,21,25(30),26,28-tetradecaene is sourced from PubChem (CID 145241488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).