19-[4-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene

C53H32N4O — CID 164940056

IUPAC19-[4-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5nc(-c6ccccc6)c6ccc7oc8ccccc8c7c6c5c4)cc3)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C53H32N4O/c1-3-13-34(14-4-1)44-32-45(56-53(55-44)57-46-20-10-7-17-38(46)39-18-8-11-21-47(39)57)35-25-23-33(24-26-35)37-27-29-43-42(31-37)50-41(52(54-43)36-15-5-2-6-16-36)28-30-49-51(50)40-19-9-12-22-48(40)58-49/h1-32H
InChIKeyHAOCOCDZCKMBQX-UHFFFAOYSA-N
MW740.87 g/mol
LogP13.84
Rot. Bonds5

About 19-[4-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene

19-[4-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene (PubChem CID 164940056) has the molecular formula C53H32N4O and a molecular weight of 740.87 g/mol. Its IUPAC name is 19-[4-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene.

Molecular Properties

Compound Name19-[4-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene
PubChem CID164940056
Molecular FormulaC53H32N4O
Molecular Weight740.87 g/mol
Exact Mass740.26
IUPAC Name19-[4-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5nc(-c6ccccc6)c6ccc7oc8ccccc8c7c6c5c4)cc3)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C53H32N4O/c1-3-13-34(14-4-1)44-32-45(56-53(55-44)57-46-20-10-7-17-38(46)39-18-8-11-21-47(39)57)35-25-23-33(24-26-35)37-27-29-43-42(31-37)50-41(52(54-43)36-15-5-2-6-16-36)28-30-49-51(50)40-19-9-12-22-48(40)58-49/h1-32H
InChIKeyHAOCOCDZCKMBQX-UHFFFAOYSA-N
XLogP13.84
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.87
LogP ≤ 513.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 19-[4-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene with MolForge

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Related Compounds

14-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 129122506
25-(4,6-diphenylpyrimidin-2-yl)-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 129142368
3-carbazol-9-yl-1-(4-phenylphenyl)-[1]benzofuro[3,2-f]quinazoline
CID 147334137
3-dibenzofuran-2-yl-9-(4,6-diphenylpyrimidin-2-yl)-6-phenylcarbazole
CID 163626219
14-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 129122179
9-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)-3-phenylcarbazole
CID 130327501
19-(4,6-diphenylpyrimidin-2-yl)-10,15-dioxa-19-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene
CID 118301346
2-dibenzofuran-2-yl-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90129211
3-dibenzofuran-2-yl-6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 118503233
6-[3-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-2-phenyl-[1]benzofuro[2,3-c]quinoline
CID 146489479
19-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9,14-diphenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene
CID 166584415
[3-(2-carbazol-9-yl-6-dibenzofuran-2-ylpyrimidin-4-yl)phenyl]-tris(3-phenylphenyl)silane
CID 168836289

Frequently Asked Questions

What is the IUPAC name of 19-[4-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene?
The IUPAC name of 19-[4-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene (CID 164940056) is 19-[4-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene.
What is the SMILES notation for 19-[4-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene?
The canonical SMILES for 19-[4-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene is c1ccc(-c2cc(-c3ccc(-c4ccc5nc(-c6ccccc6)c6ccc7oc8ccccc8c7c6c5c4)cc3)nc(-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of 19-[4-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene?
The InChIKey is HAOCOCDZCKMBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N4O/c1-3-13-34(14-4-1)44-32-45(56-53(55-44)57-46-20-10-7-17-38(46)39-18-8-11-21-47(39)57)35-25-23-33(24-26-35)37-27-29-43-42(31-37)50-41(52(54-43)36-15-5-2-6-16-36)28-30-49-51(50)40-19-9-12-22-48(40)58-49/h1-32H.
What are the key properties of 19-[4-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene?
19-[4-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene has a molecular weight of 740.87 g/mol, XLogP of 13.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 19-[4-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene is sourced from PubChem (CID 164940056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).