26-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene

C48H28N4 — CID 139570743

IUPAC26-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
SMILESc1ccc(-c2nc(-c3ccc(-n4c5cccc6c7ccccc7n7c8ccccc8c8ccc4c(c65)c87)c4ccccc34)nc3ccccc23)cc1
InChIInChI=1S/C48H28N4/c1-2-13-29(14-3-1)46-37-19-6-9-21-38(37)49-48(50-46)36-26-27-41(31-16-5-4-15-30(31)36)51-42-24-12-20-34-32-17-7-10-22-39(32)52-40-23-11-8-18-33(40)35-25-28-43(51)45(44(34)42)47(35)52/h1-28H
InChIKeyCUBLOFRCAPGTPJ-UHFFFAOYSA-N
MW660.78 g/mol
LogP12.36
Rot. Bonds3

About 26-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene

26-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene (PubChem CID 139570743) has the molecular formula C48H28N4 and a molecular weight of 660.78 g/mol. Its IUPAC name is 26-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene.

Molecular Properties

Compound Name26-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
PubChem CID139570743
Molecular FormulaC48H28N4
Molecular Weight660.78 g/mol
Exact Mass660.23
IUPAC Name26-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
SMILESc1ccc(-c2nc(-c3ccc(-n4c5cccc6c7ccccc7n7c8ccccc8c8ccc4c(c65)c87)c4ccccc34)nc3ccccc23)cc1
InChIInChI=1S/C48H28N4/c1-2-13-29(14-3-1)46-37-19-6-9-21-38(37)49-48(50-46)36-26-27-41(31-16-5-4-15-30(31)36)51-42-24-12-20-34-32-17-7-10-22-39(32)52-40-23-11-8-18-33(40)35-25-28-43(51)45(44(34)42)47(35)52/h1-28H
InChIKeyCUBLOFRCAPGTPJ-UHFFFAOYSA-N
XLogP12.36
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.78
LogP ≤ 512.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 26-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene with MolForge

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Related Compounds

26-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
CID 140947121
10-[4-(3-phenylquinoxalin-2-yl)naphthalen-1-yl]-10,15-diazaheptacyclo[13.10.1.02,14.03,11.04,9.016,21.022,26]hexacosa-1(25),2(14),3(11),4,6,8,12,16,18,20,22(26),23-dodecaene
CID 146843033
26-phenyl-5-(4-phenylquinazolin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
CID 169058381
12-[5-[4-(3-phenylphenyl)quinazolin-2-yl]naphthalen-1-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 129149842
12-[5-[4-[4-(3,5-diphenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-yl]-7-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;9-phenyl-12-[5-[4-[4-(3-phenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-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;9-phenyl-12-[5-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-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 159448508
2-[4-(14,19-diazaoctacyclo[17.10.1.02,18.03,15.04,13.07,12.020,25.026,30]triaconta-1(29),2(18),3(15),4(13),5,7,9,11,16,20,22,24,26(30),27-tetradecaen-14-yl)naphthalen-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 149085173
23-phenyl-19-(4-phenylquinazolin-2-yl)-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
CID 171044294
4-[3-[4-[4-(1,22-diazaoctacyclo[13.13.2.02,7.08,29.09,14.016,21.022,30.023,28]triaconta-2(7),3,5,8(29),9,11,13,15(30),16,18,20,23,25,27-tetradecaen-4-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-19-(4-phenylquinazolin-2-yl)-1,22-diazaoctacyclo[13.13.2.02,7.08,29.09,14.016,21.022,30.023,28]triaconta-2(7),3,5,8(29),9,11,13,15(30),16(21),17,19,23,25,27-tetradecaene
CID 163841486
26-[3-(3-phenylphenyl)quinoxalin-2-yl]-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
CID 139570650
15-[4-(4-phenylphenyl)quinazolin-2-yl]-4,15-diazaoctacyclo[14.12.0.02,14.03,11.04,26.05,10.019,28.022,27]octacosa-1(16),2(14),3(11),5,7,9,12,17,19(28),20,22(27),23,25-tridecaene
CID 148877399
10-(3-phenylquinoxalin-2-yl)-1,10-diazaoctacyclo[13.10.1.02,14.03,11.04,9.05,24.019,26.020,25]hexacosa-2(14),3(11),4,6,8,12,15,17,19(26),20,22,24-dodecaene
CID 163425953
6-[5-(4-phenylquinazolin-2-yl)naphthalen-1-yl]spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]
CID 170668224

Frequently Asked Questions

What is the IUPAC name of 26-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene?
The IUPAC name of 26-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene (CID 139570743) is 26-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene.
What is the SMILES notation for 26-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene?
The canonical SMILES for 26-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene is c1ccc(-c2nc(-c3ccc(-n4c5cccc6c7ccccc7n7c8ccccc8c8ccc4c(c65)c87)c4ccccc34)nc3ccccc23)cc1.
What is the InChIKey of 26-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene?
The InChIKey is CUBLOFRCAPGTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N4/c1-2-13-29(14-3-1)46-37-19-6-9-21-38(37)49-48(50-46)36-26-27-41(31-16-5-4-15-30(31)36)51-42-24-12-20-34-32-17-7-10-22-39(32)52-40-23-11-8-18-33(40)35-25-28-43(51)45(44(34)42)47(35)52/h1-28H.
What are the key properties of 26-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene?
26-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene has a molecular weight of 660.78 g/mol, XLogP of 12.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 26-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene is sourced from PubChem (CID 139570743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).