24-benzo[h]quinazolin-2-yl-9-phenyl-9,13,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene

C39H23N5 — CID 164836997

IUPAC24-benzo[h]quinazolin-2-yl-9-phenyl-9,13,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene
SMILESc1ccc(-n2c3ccccc3c3c2c2cnccc2c2c4ccccc4n(-c4ncc5ccc6ccccc6c5n4)c23)cc1
InChIInChI=1S/C39H23N5/c1-2-11-26(12-3-1)43-32-16-8-7-15-30(32)35-37(43)31-23-40-21-20-28(31)34-29-14-6-9-17-33(29)44(38(34)35)39-41-22-25-19-18-24-10-4-5-13-27(24)36(25)42-39/h1-23H
InChIKeyAXLQXPKRHKTQNX-UHFFFAOYSA-N
MW561.65 g/mol
LogP9.53
Rot. Bonds2

About 24-benzo[h]quinazolin-2-yl-9-phenyl-9,13,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene

24-benzo[h]quinazolin-2-yl-9-phenyl-9,13,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene (PubChem CID 164836997) has the molecular formula C39H23N5 and a molecular weight of 561.65 g/mol. Its IUPAC name is 24-benzo[h]quinazolin-2-yl-9-phenyl-9,13,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene.

Molecular Properties

Compound Name24-benzo[h]quinazolin-2-yl-9-phenyl-9,13,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene
PubChem CID164836997
Molecular FormulaC39H23N5
Molecular Weight561.65 g/mol
Exact Mass561.20
IUPAC Name24-benzo[h]quinazolin-2-yl-9-phenyl-9,13,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene
SMILESc1ccc(-n2c3ccccc3c3c2c2cnccc2c2c4ccccc4n(-c4ncc5ccc6ccccc6c5n4)c23)cc1
InChIInChI=1S/C39H23N5/c1-2-11-26(12-3-1)43-32-16-8-7-15-30(32)35-37(43)31-23-40-21-20-28(31)34-29-14-6-9-17-33(29)44(38(34)35)39-41-22-25-19-18-24-10-4-5-13-27(24)36(25)42-39/h1-23H
InChIKeyAXLQXPKRHKTQNX-UHFFFAOYSA-N
XLogP9.53
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.65
LogP ≤ 59.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 24-benzo[h]quinazolin-2-yl-9-phenyl-9,13,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene with MolForge

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Related Compounds

24-phenanthro[9,10-c]pyridin-3-yl-9-phenyl-9,13,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene
CID 164836837
21-phenyl-18,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 144568642
24-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-phenyl-9,13,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene
CID 164836782
24-benzo[h]quinazolin-2-yl-9-thia-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene
CID 164837037
24-benzo[h]quinazolin-2-yl-9-phenyl-9,12,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;24-phenanthro[9,10-c]pyridin-3-yl-9-phenyl-9,12,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;9-phenyl-24-(1-phenylbenzo[f]quinazolin-3-yl)-9,12,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene
CID 167710384
24-isoquinolin-8-yl-3-phenyl-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 122523927
11-phenylpyrido[3,4-a]carbazole
CID 118403040
24-benzo[h]quinazolin-2-yl-9,9-diphenyl-19,24-diaza-9-silahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaene
CID 164836900
24-phenyl-9-oxa-14,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene
CID 164836955
19-phenyl-3,7,10,13,19-pentazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.020,25]octacosa-1(17),2,4(9),5,7,11(16),12,14,18(26),20,22,24,27-tridecaene
CID 158405260
9-phenyl-23-quinazolin-2-yl-9,23-diazahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene
CID 122465142
20-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-3,6,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 139524740

Frequently Asked Questions

What is the IUPAC name of 24-benzo[h]quinazolin-2-yl-9-phenyl-9,13,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene?
The IUPAC name of 24-benzo[h]quinazolin-2-yl-9-phenyl-9,13,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene (CID 164836997) is 24-benzo[h]quinazolin-2-yl-9-phenyl-9,13,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene.
What is the SMILES notation for 24-benzo[h]quinazolin-2-yl-9-phenyl-9,13,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene?
The canonical SMILES for 24-benzo[h]quinazolin-2-yl-9-phenyl-9,13,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene is c1ccc(-n2c3ccccc3c3c2c2cnccc2c2c4ccccc4n(-c4ncc5ccc6ccccc6c5n4)c23)cc1.
What is the InChIKey of 24-benzo[h]quinazolin-2-yl-9-phenyl-9,13,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene?
The InChIKey is AXLQXPKRHKTQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23N5/c1-2-11-26(12-3-1)43-32-16-8-7-15-30(32)35-37(43)31-23-40-21-20-28(31)34-29-14-6-9-17-33(29)44(38(34)35)39-41-22-25-19-18-24-10-4-5-13-27(24)36(25)42-39/h1-23H.
What are the key properties of 24-benzo[h]quinazolin-2-yl-9-phenyl-9,13,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene?
24-benzo[h]quinazolin-2-yl-9-phenyl-9,13,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene has a molecular weight of 561.65 g/mol, XLogP of 9.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 24-benzo[h]quinazolin-2-yl-9-phenyl-9,13,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene is sourced from PubChem (CID 164836997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).