5-phenyl-3-(14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl)-[1]benzofuro[3,2-c]carbazole

C48H28N2O2 — CID 134223386

IUPAC5-phenyl-3-(14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl)-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-n2c3cc(-c4ccc5c(c4)c4c6c(ccc4n5-c4ccccc4)oc4ccccc46)ccc3c3c4oc5ccccc5c4ccc32)cc1
InChIInChI=1S/C48H28N2O2/c1-3-11-31(12-4-1)49-38-23-20-29(27-37(38)45-39(49)25-26-44-47(45)36-16-8-10-18-43(36)51-44)30-19-21-35-41(28-30)50(32-13-5-2-6-14-32)40-24-22-34-33-15-7-9-17-42(33)52-48(34)46(35)40/h1-28H
InChIKeyYUCDLRWNJQZDRJ-UHFFFAOYSA-N
MW664.76 g/mol
LogP13.35
Rot. Bonds3

About 5-phenyl-3-(14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl)-[1]benzofuro[3,2-c]carbazole

5-phenyl-3-(14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl)-[1]benzofuro[3,2-c]carbazole (PubChem CID 134223386) has the molecular formula C48H28N2O2 and a molecular weight of 664.76 g/mol. Its IUPAC name is 5-phenyl-3-(14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl)-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-phenyl-3-(14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl)-[1]benzofuro[3,2-c]carbazole
PubChem CID134223386
Molecular FormulaC48H28N2O2
Molecular Weight664.76 g/mol
Exact Mass664.22
IUPAC Name5-phenyl-3-(14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl)-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-n2c3cc(-c4ccc5c(c4)c4c6c(ccc4n5-c4ccccc4)oc4ccccc46)ccc3c3c4oc5ccccc5c4ccc32)cc1
InChIInChI=1S/C48H28N2O2/c1-3-11-31(12-4-1)49-38-23-20-29(27-37(38)45-39(49)25-26-44-47(45)36-16-8-10-18-43(36)51-44)30-19-21-35-41(28-30)50(32-13-5-2-6-14-32)40-24-22-34-33-15-7-9-17-42(33)52-48(34)46(35)40/h1-28H
InChIKeyYUCDLRWNJQZDRJ-UHFFFAOYSA-N
XLogP13.35
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.76
LogP ≤ 513.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-phenyl-3-(14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl)-[1]benzofuro[3,2-c]carbazole with MolForge

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Related Compounds

5-phenyl-2-(5-phenyl-[1]benzofuro[2,3-g]carbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 140840864
2-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 134223669
12-phenyl-2-(14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl)-[1]benzofuro[2,3-a]carbazole
CID 134223483
7-phenyl-9-(14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223509
3-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-6-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl)-9-phenylcarbazole
CID 142487806
5-phenyl-2-(3-phenylphenyl)-[1]benzofuro[3,2-c]carbazole
CID 121343859
5-phenyl-3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 142347126
14-phenyl-18-(9-phenylcarbazol-3-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 118298646
6-(4-dibenzofuran-2-ylphenyl)-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;ethane
CID 144604260
5-[3,5-di(dibenzofuran-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 171612138
17-phenyl-34-(4-phenylphenyl)-6,23-dioxa-17,34-diazanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1,3(18),4(16),5(13),7,9,11,14,19,21(33),22(30),24,26,28,31-pentadecaene
CID 149105992
3-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 134223675

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-(14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl)-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-phenyl-3-(14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl)-[1]benzofuro[3,2-c]carbazole (CID 134223386) is 5-phenyl-3-(14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl)-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-phenyl-3-(14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl)-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-phenyl-3-(14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl)-[1]benzofuro[3,2-c]carbazole is c1ccc(-n2c3cc(-c4ccc5c(c4)c4c6c(ccc4n5-c4ccccc4)oc4ccccc46)ccc3c3c4oc5ccccc5c4ccc32)cc1.
What is the InChIKey of 5-phenyl-3-(14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl)-[1]benzofuro[3,2-c]carbazole?
The InChIKey is YUCDLRWNJQZDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N2O2/c1-3-11-31(12-4-1)49-38-23-20-29(27-37(38)45-39(49)25-26-44-47(45)36-16-8-10-18-43(36)51-44)30-19-21-35-41(28-30)50(32-13-5-2-6-14-32)40-24-22-34-33-15-7-9-17-42(33)52-48(34)46(35)40/h1-28H.
What are the key properties of 5-phenyl-3-(14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl)-[1]benzofuro[3,2-c]carbazole?
5-phenyl-3-(14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl)-[1]benzofuro[3,2-c]carbazole has a molecular weight of 664.76 g/mol, XLogP of 13.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-(14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl)-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 134223386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).