45-methyl-12,34-bis(4-phenylquinazolin-2-yl)-12,34-diazanonacyclo[21.21.2.02,11.04,9.013,18.019,46.024,33.026,31.035,40]hexatetraconta-1(45),2,4,6,8,10,13,15,17,19(46),20,22,24,26,28,30,32,35,37,39,41,43-docosaene

C73H48N6 — CID 170127189

IUPAC45-methyl-12,34-bis(4-phenylquinazolin-2-yl)-12,34-diazanonacyclo[21.21.2.02,11.04,9.013,18.019,46.024,33.026,31.035,40]hexatetraconta-1(45),2,4,6,8,10,13,15,17,19(46),20,22,24,26,28,30,32,35,37,39,41,43-docosaene
SMILESCc1c2ccccc3ccccc3n(-c3nc(-c4ccccc4)c4ccccc4n3)c3cc4ccccc4cc3c3cccc(c4ccccc4n(-c4nc(-c5ccccc5)c5ccccc5n4)c4cc5ccccc5cc24)c13
InChIInChI=1S/C73H48N6/c1-47-55-33-14-12-23-48-24-13-20-41-65(48)78(72-74-63-39-18-15-35-59(63)70(76-72)49-25-4-2-5-26-49)68-46-54-32-11-9-30-52(54)44-62(68)58-38-22-37-57(69(47)58)56-34-17-21-42-66(56)79(67-45-53-31-10-8-29-51(53)43-61(55)67)73-75-64-40-19-16-36-60(64)71(77-73)50-27-6-3-7-28-50/h2-46H,1H3/b23-12-,33-14-,55-47-
InChIKeyJFOXJYBOFDJTRK-XXFYQQATSA-N
MW1009.23 g/mol
LogP18.83
Rot. Bonds4

About 45-methyl-12,34-bis(4-phenylquinazolin-2-yl)-12,34-diazanonacyclo[21.21.2.02,11.04,9.013,18.019,46.024,33.026,31.035,40]hexatetraconta-1(45),2,4,6,8,10,13,15,17,19(46),20,22,24,26,28,30,32,35,37,39,41,43-docosaene

45-methyl-12,34-bis(4-phenylquinazolin-2-yl)-12,34-diazanonacyclo[21.21.2.02,11.04,9.013,18.019,46.024,33.026,31.035,40]hexatetraconta-1(45),2,4,6,8,10,13,15,17,19(46),20,22,24,26,28,30,32,35,37,39,41,43-docosaene (PubChem CID 170127189) has the molecular formula C73H48N6 and a molecular weight of 1009.23 g/mol. Its IUPAC name is 45-methyl-12,34-bis(4-phenylquinazolin-2-yl)-12,34-diazanonacyclo[21.21.2.02,11.04,9.013,18.019,46.024,33.026,31.035,40]hexatetraconta-1(45),2,4,6,8,10,13,15,17,19(46),20,22,24,26,28,30,32,35,37,39,41,43-docosaene.

Molecular Properties

Compound Name45-methyl-12,34-bis(4-phenylquinazolin-2-yl)-12,34-diazanonacyclo[21.21.2.02,11.04,9.013,18.019,46.024,33.026,31.035,40]hexatetraconta-1(45),2,4,6,8,10,13,15,17,19(46),20,22,24,26,28,30,32,35,37,39,41,43-docosaene
PubChem CID170127189
Molecular FormulaC73H48N6
Molecular Weight1009.23 g/mol
Exact Mass1008.39
IUPAC Name45-methyl-12,34-bis(4-phenylquinazolin-2-yl)-12,34-diazanonacyclo[21.21.2.02,11.04,9.013,18.019,46.024,33.026,31.035,40]hexatetraconta-1(45),2,4,6,8,10,13,15,17,19(46),20,22,24,26,28,30,32,35,37,39,41,43-docosaene
SMILESCc1c2ccccc3ccccc3n(-c3nc(-c4ccccc4)c4ccccc4n3)c3cc4ccccc4cc3c3cccc(c4ccccc4n(-c4nc(-c5ccccc5)c5ccccc5n4)c4cc5ccccc5cc24)c13
InChIInChI=1S/C73H48N6/c1-47-55-33-14-12-23-48-24-13-20-41-65(48)78(72-74-63-39-18-15-35-59(63)70(76-72)49-25-4-2-5-26-49)68-46-54-32-11-9-30-52(54)44-62(68)58-38-22-37-57(69(47)58)56-34-17-21-42-66(56)79(67-45-53-31-10-8-29-51(53)43-61(55)67)73-75-64-40-19-16-36-60(64)71(77-73)50-27-6-3-7-28-50/h2-46H,1H3/b23-12-,33-14-,55-47-
InChIKeyJFOXJYBOFDJTRK-XXFYQQATSA-N
XLogP18.83
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001009.23
LogP ≤ 518.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 45-methyl-12,34-bis(4-phenylquinazolin-2-yl)-12,34-diazanonacyclo[21.21.2.02,11.04,9.013,18.019,46.024,33.026,31.035,40]hexatetraconta-1(45),2,4,6,8,10,13,15,17,19(46),20,22,24,26,28,30,32,35,37,39,41,43-docosaene with MolForge

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Related Compounds

2-carbazol-9-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 146374838
1-carbazol-9-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 155114247
5-naphthalen-1-yl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[3,2-b]carbazole
CID 138623408
5-[6,7-diphenyl-4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 139361845
3-benzo[c]carbazol-7-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 146375569
5-(7-phenyl-4-triphenylen-2-ylquinazolin-2-yl)benzo[b]carbazole
CID 139361644
5-[4-phenyl-6-(9-phenylcarbazol-4-yl)quinazolin-2-yl]benzo[b]carbazole
CID 139361444
7-phenyl-5-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[2,3-b]carbazole
CID 126580211
3-[4-(4-phenylphenyl)quinazolin-2-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaene
CID 130259598
5-(7-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 139361734
5-(4-naphtho[2,1-b][1]benzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole
CID 139361573
21-[4-(4-phenylphenyl)quinazolin-2-yl]-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene
CID 130259337

Frequently Asked Questions

What is the IUPAC name of 45-methyl-12,34-bis(4-phenylquinazolin-2-yl)-12,34-diazanonacyclo[21.21.2.02,11.04,9.013,18.019,46.024,33.026,31.035,40]hexatetraconta-1(45),2,4,6,8,10,13,15,17,19(46),20,22,24,26,28,30,32,35,37,39,41,43-docosaene?
The IUPAC name of 45-methyl-12,34-bis(4-phenylquinazolin-2-yl)-12,34-diazanonacyclo[21.21.2.02,11.04,9.013,18.019,46.024,33.026,31.035,40]hexatetraconta-1(45),2,4,6,8,10,13,15,17,19(46),20,22,24,26,28,30,32,35,37,39,41,43-docosaene (CID 170127189) is 45-methyl-12,34-bis(4-phenylquinazolin-2-yl)-12,34-diazanonacyclo[21.21.2.02,11.04,9.013,18.019,46.024,33.026,31.035,40]hexatetraconta-1(45),2,4,6,8,10,13,15,17,19(46),20,22,24,26,28,30,32,35,37,39,41,43-docosaene.
What is the SMILES notation for 45-methyl-12,34-bis(4-phenylquinazolin-2-yl)-12,34-diazanonacyclo[21.21.2.02,11.04,9.013,18.019,46.024,33.026,31.035,40]hexatetraconta-1(45),2,4,6,8,10,13,15,17,19(46),20,22,24,26,28,30,32,35,37,39,41,43-docosaene?
The canonical SMILES for 45-methyl-12,34-bis(4-phenylquinazolin-2-yl)-12,34-diazanonacyclo[21.21.2.02,11.04,9.013,18.019,46.024,33.026,31.035,40]hexatetraconta-1(45),2,4,6,8,10,13,15,17,19(46),20,22,24,26,28,30,32,35,37,39,41,43-docosaene is Cc1c2ccccc3ccccc3n(-c3nc(-c4ccccc4)c4ccccc4n3)c3cc4ccccc4cc3c3cccc(c4ccccc4n(-c4nc(-c5ccccc5)c5ccccc5n4)c4cc5ccccc5cc24)c13.
What is the InChIKey of 45-methyl-12,34-bis(4-phenylquinazolin-2-yl)-12,34-diazanonacyclo[21.21.2.02,11.04,9.013,18.019,46.024,33.026,31.035,40]hexatetraconta-1(45),2,4,6,8,10,13,15,17,19(46),20,22,24,26,28,30,32,35,37,39,41,43-docosaene?
The InChIKey is JFOXJYBOFDJTRK-XXFYQQATSA-N. The full InChI is InChI=1S/C73H48N6/c1-47-55-33-14-12-23-48-24-13-20-41-65(48)78(72-74-63-39-18-15-35-59(63)70(76-72)49-25-4-2-5-26-49)68-46-54-32-11-9-30-52(54)44-62(68)58-38-22-37-57(69(47)58)56-34-17-21-42-66(56)79(67-45-53-31-10-8-29-51(53)43-61(55)67)73-75-64-40-19-16-36-60(64)71(77-73)50-27-6-3-7-28-50/h2-46H,1H3/b23-12-,33-14-,55-47-.
What are the key properties of 45-methyl-12,34-bis(4-phenylquinazolin-2-yl)-12,34-diazanonacyclo[21.21.2.02,11.04,9.013,18.019,46.024,33.026,31.035,40]hexatetraconta-1(45),2,4,6,8,10,13,15,17,19(46),20,22,24,26,28,30,32,35,37,39,41,43-docosaene?
45-methyl-12,34-bis(4-phenylquinazolin-2-yl)-12,34-diazanonacyclo[21.21.2.02,11.04,9.013,18.019,46.024,33.026,31.035,40]hexatetraconta-1(45),2,4,6,8,10,13,15,17,19(46),20,22,24,26,28,30,32,35,37,39,41,43-docosaene has a molecular weight of 1009.23 g/mol, XLogP of 18.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 45-methyl-12,34-bis(4-phenylquinazolin-2-yl)-12,34-diazanonacyclo[21.21.2.02,11.04,9.013,18.019,46.024,33.026,31.035,40]hexatetraconta-1(45),2,4,6,8,10,13,15,17,19(46),20,22,24,26,28,30,32,35,37,39,41,43-docosaene is sourced from PubChem (CID 170127189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).