11-phenyl-15-(4-phenyl-2,4-dihydro-1H-quinazolin-3-id-2-yl)-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene

C44H29N4O- — CID 144969800

IUPAC11-phenyl-15-(4-phenyl-2,4-dihydro-1H-quinazolin-3-id-2-yl)-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
SMILESc1ccc(C2[N-]C(n3c4cc5c(cc4c4ccc6c7ccccc7oc6c43)c3ccccc3n5-c3ccccc3)Nc3ccccc32)cc1
InChIInChI=1S/C44H29N4O/c1-3-13-27(14-4-1)41-33-19-7-10-20-36(33)45-44(46-41)48-39-26-38-34(29-17-8-11-21-37(29)47(38)28-15-5-2-6-16-28)25-35(39)31-23-24-32-30-18-9-12-22-40(30)49-43(32)42(31)48/h1-26,41,44-45H/q-1
InChIKeyKLIQUECKNKVCKC-UHFFFAOYSA-N
MW629.74 g/mol
LogP11.84
Rot. Bonds3

About 11-phenyl-15-(4-phenyl-2,4-dihydro-1H-quinazolin-3-id-2-yl)-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene

11-phenyl-15-(4-phenyl-2,4-dihydro-1H-quinazolin-3-id-2-yl)-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene (PubChem CID 144969800) has the molecular formula C44H29N4O- and a molecular weight of 629.74 g/mol. Its IUPAC name is 11-phenyl-15-(4-phenyl-2,4-dihydro-1H-quinazolin-3-id-2-yl)-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene.

Molecular Properties

Compound Name11-phenyl-15-(4-phenyl-2,4-dihydro-1H-quinazolin-3-id-2-yl)-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
PubChem CID144969800
Molecular FormulaC44H29N4O-
Molecular Weight629.74 g/mol
Exact Mass629.23
IUPAC Name11-phenyl-15-(4-phenyl-2,4-dihydro-1H-quinazolin-3-id-2-yl)-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
SMILESc1ccc(C2[N-]C(n3c4cc5c(cc4c4ccc6c7ccccc7oc6c43)c3ccccc3n5-c3ccccc3)Nc3ccccc32)cc1
InChIInChI=1S/C44H29N4O/c1-3-13-27(14-4-1)41-33-19-7-10-20-36(33)45-44(46-41)48-39-26-38-34(29-17-8-11-21-37(29)47(38)28-15-5-2-6-16-28)25-35(39)31-23-24-32-30-18-9-12-22-40(30)49-43(32)42(31)48/h1-26,41,44-45H/q-1
InChIKeyKLIQUECKNKVCKC-UHFFFAOYSA-N
XLogP11.84
TPSA49.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.74
LogP ≤ 511.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 11-phenyl-15-(4-phenyl-2,4-dihydro-1H-quinazolin-3-id-2-yl)-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene with MolForge

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Related Compounds

11-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-15-phenyl-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
CID 126678107
11-phenyl-15-[3-(4-phenyl-1,2-dihydroquinolin-2-yl)phenyl]-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
CID 118546060
3-(5,7-diphenylindolo[2,3-b]carbazol-3-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 134223766
15,19-diphenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
CID 126679130
15-phenyl-11-[4-(6-phenyl-2-pyridinyl)phenyl]-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
CID 129141926
15-(9-dibenzofuran-3-ylcarbazol-3-yl)-11,19-diphenyl-11,15,19-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 174349854
26-(9-phenylcarbazol-2-yl)-1,3,10,26-tetrazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-4,6,8,12,14,16(30),17(29),18,20,22,24,27-dodecaene
CID 145027911
5-[3-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]-15-phenyl-18-oxa-5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17(25),19,21,23,26-dodecaene
CID 126677982
7-[4-[4-[2-[4-[3-[9-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-7-phenylcarbazol-2-yl]phenyl]phenyl]-7-phenylcarbazol-9-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole
CID 167192720
11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 102324620
6-methyl-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 123156036
15,24-diphenyl-12-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene
CID 126679111

Frequently Asked Questions

What is the IUPAC name of 11-phenyl-15-(4-phenyl-2,4-dihydro-1H-quinazolin-3-id-2-yl)-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene?
The IUPAC name of 11-phenyl-15-(4-phenyl-2,4-dihydro-1H-quinazolin-3-id-2-yl)-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene (CID 144969800) is 11-phenyl-15-(4-phenyl-2,4-dihydro-1H-quinazolin-3-id-2-yl)-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene.
What is the SMILES notation for 11-phenyl-15-(4-phenyl-2,4-dihydro-1H-quinazolin-3-id-2-yl)-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene?
The canonical SMILES for 11-phenyl-15-(4-phenyl-2,4-dihydro-1H-quinazolin-3-id-2-yl)-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene is c1ccc(C2[N-]C(n3c4cc5c(cc4c4ccc6c7ccccc7oc6c43)c3ccccc3n5-c3ccccc3)Nc3ccccc32)cc1.
What is the InChIKey of 11-phenyl-15-(4-phenyl-2,4-dihydro-1H-quinazolin-3-id-2-yl)-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene?
The InChIKey is KLIQUECKNKVCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N4O/c1-3-13-27(14-4-1)41-33-19-7-10-20-36(33)45-44(46-41)48-39-26-38-34(29-17-8-11-21-37(29)47(38)28-15-5-2-6-16-28)25-35(39)31-23-24-32-30-18-9-12-22-40(30)49-43(32)42(31)48/h1-26,41,44-45H/q-1.
What are the key properties of 11-phenyl-15-(4-phenyl-2,4-dihydro-1H-quinazolin-3-id-2-yl)-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene?
11-phenyl-15-(4-phenyl-2,4-dihydro-1H-quinazolin-3-id-2-yl)-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene has a molecular weight of 629.74 g/mol, XLogP of 11.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-15-(4-phenyl-2,4-dihydro-1H-quinazolin-3-id-2-yl)-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene is sourced from PubChem (CID 144969800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).