3-phenyl-24-(4-phenylquinazolin-2-yl)-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene

C40H24N6 — CID 122523941

IUPAC3-phenyl-24-(4-phenylquinazolin-2-yl)-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
SMILESc1ccc(-c2nc(-n3c4ccccc4c4c5cncnc5c5c6ccccc6n(-c6ccccc6)c5c43)nc3ccccc23)cc1
InChIInChI=1S/C40H24N6/c1-3-13-25(14-4-1)36-27-17-7-10-20-31(27)43-40(44-36)46-33-22-12-8-18-28(33)34-30-23-41-24-42-37(30)35-29-19-9-11-21-32(29)45(39(35)38(34)46)26-15-5-2-6-16-26/h1-24H
InChIKeyHZJQSIVZLGYAKG-UHFFFAOYSA-N
MW588.67 g/mol
LogP9.43
Rot. Bonds3

About 3-phenyl-24-(4-phenylquinazolin-2-yl)-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene

3-phenyl-24-(4-phenylquinazolin-2-yl)-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene (PubChem CID 122523941) has the molecular formula C40H24N6 and a molecular weight of 588.67 g/mol. Its IUPAC name is 3-phenyl-24-(4-phenylquinazolin-2-yl)-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene.

Molecular Properties

Compound Name3-phenyl-24-(4-phenylquinazolin-2-yl)-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
PubChem CID122523941
Molecular FormulaC40H24N6
Molecular Weight588.67 g/mol
Exact Mass588.21
IUPAC Name3-phenyl-24-(4-phenylquinazolin-2-yl)-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
SMILESc1ccc(-c2nc(-n3c4ccccc4c4c5cncnc5c5c6ccccc6n(-c6ccccc6)c5c43)nc3ccccc23)cc1
InChIInChI=1S/C40H24N6/c1-3-13-25(14-4-1)36-27-17-7-10-20-31(27)43-40(44-36)46-33-22-12-8-18-28(33)34-30-23-41-24-42-37(30)35-29-19-9-11-21-32(29)45(39(35)38(34)46)26-15-5-2-6-16-26/h1-24H
InChIKeyHZJQSIVZLGYAKG-UHFFFAOYSA-N
XLogP9.43
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.67
LogP ≤ 59.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-phenyl-24-(4-phenylquinazolin-2-yl)-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene with MolForge

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Related Compounds

9-phenyl-18-(4-phenylquinazolin-2-yl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 118672648
9-phenyl-12-[4-(4-phenylphenyl)quinazolin-2-yl]-9,12-diazaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.021,26.027,32]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,23,25,27,29,31-pentadecaene
CID 134369954
9-phenyl-25-(4-phenylquinazolin-2-yl)-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.019,24.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),19,21,23,27,29,31-pentadecaene
CID 140913954
3-phenyl-28-(4-phenylquinazolin-2-yl)-3,28-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene
CID 129149703
3-phenyl-24-(4-phenylquinazolin-2-yl)-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;9-phenyl-24-(4-phenylquinazolin-2-yl)-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-phenyl-14-(4-phenylquinazolin-2-yl)-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 165025974
24-phenyl-3-quinoxalin-5-yl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 122523894
3-phenyl-24-(4-phenylquinazolin-2-yl)-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;9-phenyl-24-(4-phenylquinazolin-2-yl)-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-phenyl-9-(4-phenylquinazolin-2-yl)-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-phenyl-14-(4-phenylquinazolin-2-yl)-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 165088235
11,20-diphenyl-3-(4-phenylquinazolin-2-yl)-3,11,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,14,16,18-octaen-12-one
CID 164786355
24-phenyl-3-(6-phenylpyrimidin-4-yl)-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 122523876
12-phenyl-9,20-bis(4-phenylquinazolin-2-yl)-9,12,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,14,16,18-octaen-11-one
CID 164786371
9-phenyl-18-(4-phenylpyrido[3,2-d]pyrimidin-2-yl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 118672663
9-(4-phenylquinazolin-2-yl)-18,21-dithia-9,23,25-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 138640633

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-24-(4-phenylquinazolin-2-yl)-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?
The IUPAC name of 3-phenyl-24-(4-phenylquinazolin-2-yl)-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene (CID 122523941) is 3-phenyl-24-(4-phenylquinazolin-2-yl)-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene.
What is the SMILES notation for 3-phenyl-24-(4-phenylquinazolin-2-yl)-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?
The canonical SMILES for 3-phenyl-24-(4-phenylquinazolin-2-yl)-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene is c1ccc(-c2nc(-n3c4ccccc4c4c5cncnc5c5c6ccccc6n(-c6ccccc6)c5c43)nc3ccccc23)cc1.
What is the InChIKey of 3-phenyl-24-(4-phenylquinazolin-2-yl)-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?
The InChIKey is HZJQSIVZLGYAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N6/c1-3-13-25(14-4-1)36-27-17-7-10-20-31(27)43-40(44-36)46-33-22-12-8-18-28(33)34-30-23-41-24-42-37(30)35-29-19-9-11-21-32(29)45(39(35)38(34)46)26-15-5-2-6-16-26/h1-24H.
What are the key properties of 3-phenyl-24-(4-phenylquinazolin-2-yl)-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?
3-phenyl-24-(4-phenylquinazolin-2-yl)-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene has a molecular weight of 588.67 g/mol, XLogP of 9.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-24-(4-phenylquinazolin-2-yl)-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene is sourced from PubChem (CID 122523941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).