9-(2-dibenzofuran-2-ylquinazolin-4-yl)-25-phenyl-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,23.024,32.026,31]dotriaconta-1(17),2(10),3,5,7,11,13,15,18,20,22,24(32),26,28,30-pentadecaene

C56H32N4O — CID 144696848

IUPAC9-(2-dibenzofuran-2-ylquinazolin-4-yl)-25-phenyl-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,23.024,32.026,31]dotriaconta-1(17),2(10),3,5,7,11,13,15,18,20,22,24(32),26,28,30-pentadecaene
SMILESc1ccc(-n2c3ccccc3c3c4c(c5ccccc5c32)c2ccccc2c2c4c3ccccc3n2-c2nc(-c3ccc4oc5ccccc5c4c3)nc3ccccc23)cc1
InChIInChI=1S/C56H32N4O/c1-2-16-34(17-3-1)59-45-27-13-9-24-41(45)50-52-49(36-19-4-6-21-38(36)53(50)59)37-20-5-7-22-39(37)54-51(52)42-25-10-14-28-46(42)60(54)56-40-23-8-12-26-44(40)57-55(58-56)33-30-31-48-43(32-33)35-18-11-15-29-47(35)61-48/h1-32H
InChIKeyPNGODNVDSVKSRH-UHFFFAOYSA-N
MW776.90 g/mol
LogP14.85
Rot. Bonds3

About 9-(2-dibenzofuran-2-ylquinazolin-4-yl)-25-phenyl-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,23.024,32.026,31]dotriaconta-1(17),2(10),3,5,7,11,13,15,18,20,22,24(32),26,28,30-pentadecaene

9-(2-dibenzofuran-2-ylquinazolin-4-yl)-25-phenyl-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,23.024,32.026,31]dotriaconta-1(17),2(10),3,5,7,11,13,15,18,20,22,24(32),26,28,30-pentadecaene (PubChem CID 144696848) has the molecular formula C56H32N4O and a molecular weight of 776.90 g/mol. Its IUPAC name is 9-(2-dibenzofuran-2-ylquinazolin-4-yl)-25-phenyl-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,23.024,32.026,31]dotriaconta-1(17),2(10),3,5,7,11,13,15,18,20,22,24(32),26,28,30-pentadecaene.

Molecular Properties

Compound Name9-(2-dibenzofuran-2-ylquinazolin-4-yl)-25-phenyl-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,23.024,32.026,31]dotriaconta-1(17),2(10),3,5,7,11,13,15,18,20,22,24(32),26,28,30-pentadecaene
PubChem CID144696848
Molecular FormulaC56H32N4O
Molecular Weight776.90 g/mol
Exact Mass776.26
IUPAC Name9-(2-dibenzofuran-2-ylquinazolin-4-yl)-25-phenyl-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,23.024,32.026,31]dotriaconta-1(17),2(10),3,5,7,11,13,15,18,20,22,24(32),26,28,30-pentadecaene
SMILESc1ccc(-n2c3ccccc3c3c4c(c5ccccc5c32)c2ccccc2c2c4c3ccccc3n2-c2nc(-c3ccc4oc5ccccc5c4c3)nc3ccccc23)cc1
InChIInChI=1S/C56H32N4O/c1-2-16-34(17-3-1)59-45-27-13-9-24-41(45)50-52-49(36-19-4-6-21-38(36)53(50)59)37-20-5-7-22-39(37)54-51(52)42-25-10-14-28-46(42)60(54)56-40-23-8-12-26-44(40)57-55(58-56)33-30-31-48-43(32-33)35-18-11-15-29-47(35)61-48/h1-32H
InChIKeyPNGODNVDSVKSRH-UHFFFAOYSA-N
XLogP14.85
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.90
LogP ≤ 514.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 9-(2-dibenzofuran-2-ylquinazolin-4-yl)-25-phenyl-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,23.024,32.026,31]dotriaconta-1(17),2(10),3,5,7,11,13,15,18,20,22,24(32),26,28,30-pentadecaene with MolForge

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Related Compounds

19-dibenzofuran-2-yl-9-(4-phenylphenyl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 135163206
5-[4-(6-dibenzofuran-2-yl-2-phenylpyrimidin-4-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 90085731
2-[4-(25-phenyl-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,23.024,32.026,31]dotriaconta-1(17),2(10),3,5,7,11,13,15,18,20,22,24(32),26,28,30-pentadecaen-9-yl)phenyl]-1,3-benzoxazole
CID 144696804
10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-15-phenyl-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene
CID 135166022
N-[4-(9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaen-9-yl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-4-phenylaniline
CID 140913685
12-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylindolo[2,3-a]carbazole
CID 139497027
12-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 169015007
25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-14-oxa-25-azaheptacyclo[19.11.0.02,7.08,13.015,20.024,32.026,31]dotriaconta-1(21),2,4,6,8,10,12,15(20),16,18,22,24(32),26,28,30-pentadecaene
CID 129142369
9-dibenzofuran-2-yl-12-phenyl-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 134369923
12-dibenzofuran-2-yl-11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 139497007
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazole
CID 163629204
1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 154602228

Frequently Asked Questions

What is the IUPAC name of 9-(2-dibenzofuran-2-ylquinazolin-4-yl)-25-phenyl-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,23.024,32.026,31]dotriaconta-1(17),2(10),3,5,7,11,13,15,18,20,22,24(32),26,28,30-pentadecaene?
The IUPAC name of 9-(2-dibenzofuran-2-ylquinazolin-4-yl)-25-phenyl-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,23.024,32.026,31]dotriaconta-1(17),2(10),3,5,7,11,13,15,18,20,22,24(32),26,28,30-pentadecaene (CID 144696848) is 9-(2-dibenzofuran-2-ylquinazolin-4-yl)-25-phenyl-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,23.024,32.026,31]dotriaconta-1(17),2(10),3,5,7,11,13,15,18,20,22,24(32),26,28,30-pentadecaene.
What is the SMILES notation for 9-(2-dibenzofuran-2-ylquinazolin-4-yl)-25-phenyl-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,23.024,32.026,31]dotriaconta-1(17),2(10),3,5,7,11,13,15,18,20,22,24(32),26,28,30-pentadecaene?
The canonical SMILES for 9-(2-dibenzofuran-2-ylquinazolin-4-yl)-25-phenyl-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,23.024,32.026,31]dotriaconta-1(17),2(10),3,5,7,11,13,15,18,20,22,24(32),26,28,30-pentadecaene is c1ccc(-n2c3ccccc3c3c4c(c5ccccc5c32)c2ccccc2c2c4c3ccccc3n2-c2nc(-c3ccc4oc5ccccc5c4c3)nc3ccccc23)cc1.
What is the InChIKey of 9-(2-dibenzofuran-2-ylquinazolin-4-yl)-25-phenyl-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,23.024,32.026,31]dotriaconta-1(17),2(10),3,5,7,11,13,15,18,20,22,24(32),26,28,30-pentadecaene?
The InChIKey is PNGODNVDSVKSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H32N4O/c1-2-16-34(17-3-1)59-45-27-13-9-24-41(45)50-52-49(36-19-4-6-21-38(36)53(50)59)37-20-5-7-22-39(37)54-51(52)42-25-10-14-28-46(42)60(54)56-40-23-8-12-26-44(40)57-55(58-56)33-30-31-48-43(32-33)35-18-11-15-29-47(35)61-48/h1-32H.
What are the key properties of 9-(2-dibenzofuran-2-ylquinazolin-4-yl)-25-phenyl-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,23.024,32.026,31]dotriaconta-1(17),2(10),3,5,7,11,13,15,18,20,22,24(32),26,28,30-pentadecaene?
9-(2-dibenzofuran-2-ylquinazolin-4-yl)-25-phenyl-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,23.024,32.026,31]dotriaconta-1(17),2(10),3,5,7,11,13,15,18,20,22,24(32),26,28,30-pentadecaene has a molecular weight of 776.90 g/mol, XLogP of 14.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-dibenzofuran-2-ylquinazolin-4-yl)-25-phenyl-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,23.024,32.026,31]dotriaconta-1(17),2(10),3,5,7,11,13,15,18,20,22,24(32),26,28,30-pentadecaene is sourced from PubChem (CID 144696848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).