9-dibenzofuran-2-yl-5-(3,4-dihydrodibenzofuran-1-yl)-14-phenyl-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-nonaene

C48H30N2O2 — CID 178110262

IUPAC9-dibenzofuran-2-yl-5-(3,4-dihydrodibenzofuran-1-yl)-14-phenyl-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-nonaene
SMILESC1=C(c2ccc3c(c2)c2c4c5ccccc5n(-c5ccccc5)c4ccc2n3-c2ccc3oc4ccccc4c3c2)c2c(oc3ccccc23)CC1
InChIInChI=1S/C48H30N2O2/c1-2-11-30(12-3-1)49-38-17-7-4-14-34(38)47-40(49)24-25-41-48(47)37-27-29(32-16-10-20-45-46(32)35-15-6-9-19-43(35)52-45)21-23-39(37)50(41)31-22-26-44-36(28-31)33-13-5-8-18-42(33)51-44/h1-9,11-19,21-28H,10,20H2
InChIKeyHHEPOEMSXZBHQY-UHFFFAOYSA-N
MW666.78 g/mol
LogP12.90
Rot. Bonds3

About 9-dibenzofuran-2-yl-5-(3,4-dihydrodibenzofuran-1-yl)-14-phenyl-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-nonaene

9-dibenzofuran-2-yl-5-(3,4-dihydrodibenzofuran-1-yl)-14-phenyl-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-nonaene (PubChem CID 178110262) has the molecular formula C48H30N2O2 and a molecular weight of 666.78 g/mol. Its IUPAC name is 9-dibenzofuran-2-yl-5-(3,4-dihydrodibenzofuran-1-yl)-14-phenyl-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-nonaene.

Molecular Properties

Compound Name9-dibenzofuran-2-yl-5-(3,4-dihydrodibenzofuran-1-yl)-14-phenyl-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-nonaene
PubChem CID178110262
Molecular FormulaC48H30N2O2
Molecular Weight666.78 g/mol
Exact Mass666.23
IUPAC Name9-dibenzofuran-2-yl-5-(3,4-dihydrodibenzofuran-1-yl)-14-phenyl-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-nonaene
SMILESC1=C(c2ccc3c(c2)c2c4c5ccccc5n(-c5ccccc5)c4ccc2n3-c2ccc3oc4ccccc4c3c2)c2c(oc3ccccc23)CC1
InChIInChI=1S/C48H30N2O2/c1-2-11-30(12-3-1)49-38-17-7-4-14-34(38)47-40(49)24-25-41-48(47)37-27-29(32-16-10-20-45-46(32)35-15-6-9-19-43(35)52-45)21-23-39(37)50(41)31-22-26-44-36(28-31)33-13-5-8-18-42(33)51-44/h1-9,11-19,21-28H,10,20H2
InChIKeyHHEPOEMSXZBHQY-UHFFFAOYSA-N
XLogP12.90
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.78
LogP ≤ 512.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-dibenzofuran-2-yl-5-(3,4-dihydrodibenzofuran-1-yl)-14-phenyl-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-nonaene with MolForge

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Related Compounds

3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
9-dibenzofuran-2-yl-14-[3-(3-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166961355
9-(7-dibenzofuran-3-yldibenzofuran-3-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 170285118
3,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158173584
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 59348276
2,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594589
3-[3-(3-dibenzofuran-2-ylphenyl)carbazol-9-yl]-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 123419299
9-phenyl-14-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 134515861
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
4-(9-dibenzofuran-2-ylcarbazol-2-yl)-3,9-diphenylcarbazole
CID 90321713
4-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 149044297
9-naphtho[3,2-b][1]benzofuran-8-yl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 162781609

Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-2-yl-5-(3,4-dihydrodibenzofuran-1-yl)-14-phenyl-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-nonaene?
The IUPAC name of 9-dibenzofuran-2-yl-5-(3,4-dihydrodibenzofuran-1-yl)-14-phenyl-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-nonaene (CID 178110262) is 9-dibenzofuran-2-yl-5-(3,4-dihydrodibenzofuran-1-yl)-14-phenyl-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-nonaene.
What is the SMILES notation for 9-dibenzofuran-2-yl-5-(3,4-dihydrodibenzofuran-1-yl)-14-phenyl-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-nonaene?
The canonical SMILES for 9-dibenzofuran-2-yl-5-(3,4-dihydrodibenzofuran-1-yl)-14-phenyl-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-nonaene is C1=C(c2ccc3c(c2)c2c4c5ccccc5n(-c5ccccc5)c4ccc2n3-c2ccc3oc4ccccc4c3c2)c2c(oc3ccccc23)CC1.
What is the InChIKey of 9-dibenzofuran-2-yl-5-(3,4-dihydrodibenzofuran-1-yl)-14-phenyl-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-nonaene?
The InChIKey is HHEPOEMSXZBHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O2/c1-2-11-30(12-3-1)49-38-17-7-4-14-34(38)47-40(49)24-25-41-48(47)37-27-29(32-16-10-20-45-46(32)35-15-6-9-19-43(35)52-45)21-23-39(37)50(41)31-22-26-44-36(28-31)33-13-5-8-18-42(33)51-44/h1-9,11-19,21-28H,10,20H2.
What are the key properties of 9-dibenzofuran-2-yl-5-(3,4-dihydrodibenzofuran-1-yl)-14-phenyl-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-nonaene?
9-dibenzofuran-2-yl-5-(3,4-dihydrodibenzofuran-1-yl)-14-phenyl-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-nonaene has a molecular weight of 666.78 g/mol, XLogP of 12.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzofuran-2-yl-5-(3,4-dihydrodibenzofuran-1-yl)-14-phenyl-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-nonaene is sourced from PubChem (CID 178110262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).