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

C48H28N2O2 — CID 134223483

IUPAC12-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
SMILESc1ccc(-n2c3ccc(-c4ccc5c6ccc7c8ccccc8oc7c6n(-c6ccccc6)c5c4)cc3c3c4c(ccc32)oc2ccccc24)cc1
InChIInChI=1S/C48H28N2O2/c1-3-11-31(12-4-1)49-39-24-20-29(27-38(39)45-40(49)25-26-44-46(45)37-16-8-10-18-43(37)51-44)30-19-21-33-35-22-23-36-34-15-7-9-17-42(34)52-48(36)47(35)50(41(33)28-30)32-13-5-2-6-14-32/h1-28H
InChIKeyHEJZEWVVDKYZTD-UHFFFAOYSA-N
MW664.76 g/mol
LogP13.35
Rot. Bonds3

About 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

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 (PubChem CID 134223483) has the molecular formula C48H28N2O2 and a molecular weight of 664.76 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name12-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
PubChem CID134223483
Molecular FormulaC48H28N2O2
Molecular Weight664.76 g/mol
Exact Mass664.22
IUPAC Name12-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
SMILESc1ccc(-n2c3ccc(-c4ccc5c6ccc7c8ccccc8oc7c6n(-c6ccccc6)c5c4)cc3c3c4c(ccc32)oc2ccccc24)cc1
InChIInChI=1S/C48H28N2O2/c1-3-11-31(12-4-1)49-39-24-20-29(27-38(39)45-40(49)25-26-44-46(45)37-16-8-10-18-43(37)51-44)30-19-21-33-35-22-23-36-34-15-7-9-17-42(34)52-48(36)47(35)50(41(33)28-30)32-13-5-2-6-14-32/h1-28H
InChIKeyHEJZEWVVDKYZTD-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 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 with MolForge

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Related Compounds

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
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
3-(5,7-diphenylindolo[2,3-b]carbazol-3-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 134223766
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
12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-phenylphenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-phenylphenyl]-5-phenylphenyl]-[1]benzofuro[2,3-a]carbazole;14-[3-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 159106618
5-phenyl-2-(5-phenyl-[1]benzofuro[2,3-g]carbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 140840864
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
12-[4-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166509852
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
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
15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-12-oxa-15,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-10-oxa-15,20-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene
CID 157491717
12-[4-(4-carbazol-9-ylphenyl)phenyl]-2-[4-[11-[4-(4-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-b]carbazol-2-yl]phenyl]-9-phenyl-[1]benzofuro[2,3-a]carbazole
CID 167193369

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-n2c3ccc(-c4ccc5c6ccc7c8ccccc8oc7c6n(-c6ccccc6)c5c4)cc3c3c4c(ccc32)oc2ccccc24)cc1.
What is the InChIKey of 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?
The InChIKey is HEJZEWVVDKYZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N2O2/c1-3-11-31(12-4-1)49-39-24-20-29(27-38(39)45-40(49)25-26-44-46(45)37-16-8-10-18-43(37)51-44)30-19-21-33-35-22-23-36-34-15-7-9-17-42(34)52-48(36)47(35)50(41(33)28-30)32-13-5-2-6-14-32/h1-28H.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 134223483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).