5-[3,5-di(dibenzofuran-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole

C48H27NO3 — CID 171612138

IUPAC5-[3,5-di(dibenzofuran-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc2c(c1)oc1ccc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c3)cc12
InChIInChI=1S/C48H27NO3/c1-5-13-40-37(12-1)47-41(20-19-36-33-9-2-8-16-44(33)52-48(36)47)49(40)32-24-30(28-17-21-45-38(26-28)34-10-3-6-14-42(34)50-45)23-31(25-32)29-18-22-46-39(27-29)35-11-4-7-15-43(35)51-46/h1-27H
InChIKeyJHVQFDRXRNPGQU-UHFFFAOYSA-N
MW665.75 g/mol
LogP13.82
Rot. Bonds3

About 5-[3,5-di(dibenzofuran-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole

5-[3,5-di(dibenzofuran-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 171612138) has the molecular formula C48H27NO3 and a molecular weight of 665.75 g/mol. Its IUPAC name is 5-[3,5-di(dibenzofuran-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-[3,5-di(dibenzofuran-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
PubChem CID171612138
Molecular FormulaC48H27NO3
Molecular Weight665.75 g/mol
Exact Mass665.20
IUPAC Name5-[3,5-di(dibenzofuran-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc2c(c1)oc1ccc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c3)cc12
InChIInChI=1S/C48H27NO3/c1-5-13-40-37(12-1)47-41(20-19-36-33-9-2-8-16-44(33)52-48(36)47)49(40)32-24-30(28-17-21-45-38(26-28)34-10-3-6-14-42(34)50-45)23-31(25-32)29-18-22-46-39(27-29)35-11-4-7-15-43(35)51-46/h1-27H
InChIKeyJHVQFDRXRNPGQU-UHFFFAOYSA-N
XLogP13.82
TPSA44.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.75
LogP ≤ 513.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(7-dibenzofuran-2-yldibenzofuran-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 170276888
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
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
9-[3-[10-(7-dibenzofuran-2-yltriphenylen-2-yl)triphenylen-2-yl]-5-triphenylen-2-ylphenyl]carbazole
CID 155257341
5-[4-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 149479676
5-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 167193138
5-phenyl-2-(5-phenyl-[1]benzofuro[2,3-g]carbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 140840864
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
5-phenyl-9-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-c]carbazole
CID 137401801
5-phenyl-2-(3-phenylphenyl)-[1]benzofuro[3,2-c]carbazole
CID 121343859
3-[5-(3-carbazol-9-ylphenyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]-9-phenylcarbazole;3-[18-(3-carbazol-9-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]-9-phenylcarbazole;3-(5-dibenzofuran-2-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)-9-phenylcarbazole;3-(18-dibenzofuran-2-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl)-9-phenylcarbazole;3-[18-(3-dibenzofuran-2-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]-9-phenylcarbazole;9-phenyl-3-[3-[16-(9-phenylcarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl]phenyl]carbazole
CID 159911706
6-([1]benzofuro[3,2-c]carbazol-5-yl)-2-phenylxanthen-9-one
CID 146176135

Frequently Asked Questions

What is the IUPAC name of 5-[3,5-di(dibenzofuran-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-[3,5-di(dibenzofuran-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole (CID 171612138) is 5-[3,5-di(dibenzofuran-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-[3,5-di(dibenzofuran-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-[3,5-di(dibenzofuran-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole is c1ccc2c(c1)oc1ccc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c3)cc12.
What is the InChIKey of 5-[3,5-di(dibenzofuran-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is JHVQFDRXRNPGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H27NO3/c1-5-13-40-37(12-1)47-41(20-19-36-33-9-2-8-16-44(33)52-48(36)47)49(40)32-24-30(28-17-21-45-38(26-28)34-10-3-6-14-42(34)50-45)23-31(25-32)29-18-22-46-39(27-29)35-11-4-7-15-43(35)51-46/h1-27H.
What are the key properties of 5-[3,5-di(dibenzofuran-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole?
5-[3,5-di(dibenzofuran-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 665.75 g/mol, XLogP of 13.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-di(dibenzofuran-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 171612138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).