24-(2,4-diphenylquinazolin-6-yl)-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene

C41H25N5 — CID 142565516

IUPAC24-(2,4-diphenylquinazolin-6-yl)-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene
SMILESc1ccc(-c2nc(-c3ccccc3)c3cc(-n4c5ccccc5c5c6ccccc6c6nc7ccccc7n6c54)ccc3n2)cc1
InChIInChI=1S/C41H25N5/c1-3-13-26(14-4-1)38-32-25-28(23-24-33(32)42-39(44-38)27-15-5-2-6-16-27)45-35-21-11-9-19-31(35)37-29-17-7-8-18-30(29)40-43-34-20-10-12-22-36(34)46(40)41(37)45/h1-25H
InChIKeyJYUPFORFYFKXOH-UHFFFAOYSA-N
MW587.69 g/mol
LogP10.02
Rot. Bonds3

About 24-(2,4-diphenylquinazolin-6-yl)-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene

24-(2,4-diphenylquinazolin-6-yl)-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene (PubChem CID 142565516) has the molecular formula C41H25N5 and a molecular weight of 587.69 g/mol. Its IUPAC name is 24-(2,4-diphenylquinazolin-6-yl)-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene.

Molecular Properties

Compound Name24-(2,4-diphenylquinazolin-6-yl)-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene
PubChem CID142565516
Molecular FormulaC41H25N5
Molecular Weight587.69 g/mol
Exact Mass587.21
IUPAC Name24-(2,4-diphenylquinazolin-6-yl)-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene
SMILESc1ccc(-c2nc(-c3ccccc3)c3cc(-n4c5ccccc5c5c6ccccc6c6nc7ccccc7n6c54)ccc3n2)cc1
InChIInChI=1S/C41H25N5/c1-3-13-26(14-4-1)38-32-25-28(23-24-33(32)42-39(44-38)27-15-5-2-6-16-27)45-35-21-11-9-19-31(35)37-29-17-7-8-18-30(29)40-43-34-20-10-12-22-36(34)46(40)41(37)45/h1-25H
InChIKeyJYUPFORFYFKXOH-UHFFFAOYSA-N
XLogP10.02
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.69
LogP ≤ 510.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 24-(2,4-diphenylquinazolin-6-yl)-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene with MolForge

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Related Compounds

24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene
CID 140939642
16-(2,4-diphenylquinazolin-6-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8(13),9,11,15(23),17,19,21-undecaene
CID 135212465
24-(9,9-dimethylfluoren-2-yl)-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene
CID 142565593
21-(2,4-diphenylquinazolin-6-yl)-9,18-dithia-21-azaheptacyclo[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 118634946
11-(2,4-diphenylquinazolin-6-yl)-15-phenyl-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene
CID 154952405
22-(2,4-diphenylquinazolin-6-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene;22-(2,4-diphenylquinazolin-7-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene;22-(2,3-diphenylquinoxalin-6-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene
CID 165017021
10,12-diphenyl-9,11,14,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 163388356
3-(3-phenylquinoxalin-2-yl)-1,3,18-triazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-2(10),4,6,8,11,13,15,17,19,21,23-undecaen-25-one
CID 164913432
19-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,9,19-triazaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.020,25]octacosa-1(17),3,5,7,9,11,13,15,18(26),20,22,24,27-tridecaene
CID 90432796
21-(2,4-diphenylquinazolin-6-yl)-18-phenyl-9-oxa-18,21-diazaheptacyclo[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 118635421
2-[4-(4-carbazol-9-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole
CID 145158976
10-(3,6-diphenylcarbazol-9-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 58038256

Frequently Asked Questions

What is the IUPAC name of 24-(2,4-diphenylquinazolin-6-yl)-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene?
The IUPAC name of 24-(2,4-diphenylquinazolin-6-yl)-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene (CID 142565516) is 24-(2,4-diphenylquinazolin-6-yl)-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene.
What is the SMILES notation for 24-(2,4-diphenylquinazolin-6-yl)-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene?
The canonical SMILES for 24-(2,4-diphenylquinazolin-6-yl)-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene is c1ccc(-c2nc(-c3ccccc3)c3cc(-n4c5ccccc5c5c6ccccc6c6nc7ccccc7n6c54)ccc3n2)cc1.
What is the InChIKey of 24-(2,4-diphenylquinazolin-6-yl)-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene?
The InChIKey is JYUPFORFYFKXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N5/c1-3-13-26(14-4-1)38-32-25-28(23-24-33(32)42-39(44-38)27-15-5-2-6-16-27)45-35-21-11-9-19-31(35)37-29-17-7-8-18-30(29)40-43-34-20-10-12-22-36(34)46(40)41(37)45/h1-25H.
What are the key properties of 24-(2,4-diphenylquinazolin-6-yl)-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene?
24-(2,4-diphenylquinazolin-6-yl)-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene has a molecular weight of 587.69 g/mol, XLogP of 10.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 24-(2,4-diphenylquinazolin-6-yl)-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene is sourced from PubChem (CID 142565516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).