6-(4-phenylquinazolin-2-yl)-6,17-diazaheptacyclo[19.7.1.02,14.05,13.07,12.015,20.025,29]nonacosa-1(28),2(14),3,5(13),7,9,11,15(20),16,18,21,23,25(29),26-tetradecaene

C41H24N4 — CID 155771553

IUPAC6-(4-phenylquinazolin-2-yl)-6,17-diazaheptacyclo[19.7.1.02,14.05,13.07,12.015,20.025,29]nonacosa-1(28),2(14),3,5(13),7,9,11,15(20),16,18,21,23,25(29),26-tetradecaene
SMILESc1ccc(-c2nc(-n3c4ccccc4c4c5c(ccc43)-c3cccc4cccc(c34)-c3ccncc3-5)nc3ccccc23)cc1
InChIInChI=1S/C41H24N4/c1-2-10-26(11-3-1)40-31-14-4-6-18-34(31)43-41(44-40)45-35-19-7-5-15-32(35)39-36(45)21-20-30-29-17-9-13-25-12-8-16-28(37(25)29)27-22-23-42-24-33(27)38(30)39/h1-24H
InChIKeyJQBOZQQXLRKYPS-UHFFFAOYSA-N
MW572.67 g/mol
LogP10.26
Rot. Bonds2

About 6-(4-phenylquinazolin-2-yl)-6,17-diazaheptacyclo[19.7.1.02,14.05,13.07,12.015,20.025,29]nonacosa-1(28),2(14),3,5(13),7,9,11,15(20),16,18,21,23,25(29),26-tetradecaene

6-(4-phenylquinazolin-2-yl)-6,17-diazaheptacyclo[19.7.1.02,14.05,13.07,12.015,20.025,29]nonacosa-1(28),2(14),3,5(13),7,9,11,15(20),16,18,21,23,25(29),26-tetradecaene (PubChem CID 155771553) has the molecular formula C41H24N4 and a molecular weight of 572.67 g/mol. Its IUPAC name is 6-(4-phenylquinazolin-2-yl)-6,17-diazaheptacyclo[19.7.1.02,14.05,13.07,12.015,20.025,29]nonacosa-1(28),2(14),3,5(13),7,9,11,15(20),16,18,21,23,25(29),26-tetradecaene.

Molecular Properties

Compound Name6-(4-phenylquinazolin-2-yl)-6,17-diazaheptacyclo[19.7.1.02,14.05,13.07,12.015,20.025,29]nonacosa-1(28),2(14),3,5(13),7,9,11,15(20),16,18,21,23,25(29),26-tetradecaene
PubChem CID155771553
Molecular FormulaC41H24N4
Molecular Weight572.67 g/mol
Exact Mass572.20
IUPAC Name6-(4-phenylquinazolin-2-yl)-6,17-diazaheptacyclo[19.7.1.02,14.05,13.07,12.015,20.025,29]nonacosa-1(28),2(14),3,5(13),7,9,11,15(20),16,18,21,23,25(29),26-tetradecaene
SMILESc1ccc(-c2nc(-n3c4ccccc4c4c5c(ccc43)-c3cccc4cccc(c34)-c3ccncc3-5)nc3ccccc23)cc1
InChIInChI=1S/C41H24N4/c1-2-10-26(11-3-1)40-31-14-4-6-18-34(31)43-41(44-40)45-35-19-7-5-15-32(35)39-36(45)21-20-30-29-17-9-13-25-12-8-16-28(37(25)29)27-22-23-42-24-33(27)38(30)39/h1-24H
InChIKeyJQBOZQQXLRKYPS-UHFFFAOYSA-N
XLogP10.26
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.67
LogP ≤ 510.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(4-phenylquinazolin-2-yl)-6,17-diazaheptacyclo[19.7.1.02,14.05,13.07,12.015,20.025,29]nonacosa-1(28),2(14),3,5(13),7,9,11,15(20),16,18,21,23,25(29),26-tetradecaene with MolForge

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Related Compounds

10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene
CID 118564899
10-[4-(4-phenylquinazolin-2-yl)phenyl]-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene
CID 118564966
27-(4-phenylquinazolin-2-yl)-27-azaheptacyclo[12.11.1.16,9.02,7.08,13.016,21.022,26]heptacosa-1(25),2(7),3,5,8(13),9,11,14,16,18,20,22(26),23-tridecaene
CID 164840623
31-(4-phenylquinazolin-2-yl)-31-azaoctacyclo[15.12.1.12,28.03,8.09,30.010,15.018,23.024,29]hentriaconta-1,3,5,7,9(30),10,12,14,16,18,20,22,24(29),25,27-pentadecaene
CID 155009869
11-(3-phenylquinoxalin-2-yl)-11,17-diazaheptacyclo[19.7.1.02,14.04,12.05,10.015,20.025,29]nonacosa-1(28),2(14),3,5,7,9,12,15(20),16,18,21,23,25(29),26-tetradecaene
CID 155771561
17,17-dimethyl-9-(4-phenylquinazolin-2-yl)-9-azahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene
CID 122464909
12-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 131999015
17-(4-phenylquinazolin-2-yl)-9-thia-17-azaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene
CID 163895312
9-[4-[2-(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-dodecaen-22-yl)quinazolin-4-yl]phenyl]-22-[4-(4-phenylphenyl)quinazolin-2-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 154986284
9-(5-phenylpyrido[4,3-b]indol-8-yl)-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;5-(5-phenylpyrido[4,3-b]indol-8-yl)-11-(4-phenylquinazolin-2-yl)indolo[3,2-b]carbazole;9-(5-phenylpyrido[4,3-b]indol-8-yl)-14-quinazolin-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 158001880
28-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-28-azaheptacyclo[18.11.0.02,7.08,13.014,19.021,29.022,27]hentriaconta-1(20),2,4,6,8,10,12,14,16,18,21(29),22,24,26,30-pentadecaene
CID 164748084
22-[4-(3-phenylphenyl)quinazolin-2-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 154597929

Frequently Asked Questions

What is the IUPAC name of 6-(4-phenylquinazolin-2-yl)-6,17-diazaheptacyclo[19.7.1.02,14.05,13.07,12.015,20.025,29]nonacosa-1(28),2(14),3,5(13),7,9,11,15(20),16,18,21,23,25(29),26-tetradecaene?
The IUPAC name of 6-(4-phenylquinazolin-2-yl)-6,17-diazaheptacyclo[19.7.1.02,14.05,13.07,12.015,20.025,29]nonacosa-1(28),2(14),3,5(13),7,9,11,15(20),16,18,21,23,25(29),26-tetradecaene (CID 155771553) is 6-(4-phenylquinazolin-2-yl)-6,17-diazaheptacyclo[19.7.1.02,14.05,13.07,12.015,20.025,29]nonacosa-1(28),2(14),3,5(13),7,9,11,15(20),16,18,21,23,25(29),26-tetradecaene.
What is the SMILES notation for 6-(4-phenylquinazolin-2-yl)-6,17-diazaheptacyclo[19.7.1.02,14.05,13.07,12.015,20.025,29]nonacosa-1(28),2(14),3,5(13),7,9,11,15(20),16,18,21,23,25(29),26-tetradecaene?
The canonical SMILES for 6-(4-phenylquinazolin-2-yl)-6,17-diazaheptacyclo[19.7.1.02,14.05,13.07,12.015,20.025,29]nonacosa-1(28),2(14),3,5(13),7,9,11,15(20),16,18,21,23,25(29),26-tetradecaene is c1ccc(-c2nc(-n3c4ccccc4c4c5c(ccc43)-c3cccc4cccc(c34)-c3ccncc3-5)nc3ccccc23)cc1.
What is the InChIKey of 6-(4-phenylquinazolin-2-yl)-6,17-diazaheptacyclo[19.7.1.02,14.05,13.07,12.015,20.025,29]nonacosa-1(28),2(14),3,5(13),7,9,11,15(20),16,18,21,23,25(29),26-tetradecaene?
The InChIKey is JQBOZQQXLRKYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24N4/c1-2-10-26(11-3-1)40-31-14-4-6-18-34(31)43-41(44-40)45-35-19-7-5-15-32(35)39-36(45)21-20-30-29-17-9-13-25-12-8-16-28(37(25)29)27-22-23-42-24-33(27)38(30)39/h1-24H.
What are the key properties of 6-(4-phenylquinazolin-2-yl)-6,17-diazaheptacyclo[19.7.1.02,14.05,13.07,12.015,20.025,29]nonacosa-1(28),2(14),3,5(13),7,9,11,15(20),16,18,21,23,25(29),26-tetradecaene?
6-(4-phenylquinazolin-2-yl)-6,17-diazaheptacyclo[19.7.1.02,14.05,13.07,12.015,20.025,29]nonacosa-1(28),2(14),3,5(13),7,9,11,15(20),16,18,21,23,25(29),26-tetradecaene has a molecular weight of 572.67 g/mol, XLogP of 10.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenylquinazolin-2-yl)-6,17-diazaheptacyclo[19.7.1.02,14.05,13.07,12.015,20.025,29]nonacosa-1(28),2(14),3,5(13),7,9,11,15(20),16,18,21,23,25(29),26-tetradecaene is sourced from PubChem (CID 155771553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).