9-(9-dibenzofuran-1-ylcarbazol-4-yl)-14-quinolin-3-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

C51H30N4O — CID 134352644

IUPAC9-(9-dibenzofuran-1-ylcarbazol-4-yl)-14-quinolin-3-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
SMILESc1ccc2ncc(-n3c4ccccc4c4c5c6ccccc6n(-c6cccc7c6c6ccccc6n7-c6cccc7oc8ccccc8c67)c5ccc43)cc2c1
InChIInChI=1S/C51H30N4O/c1-6-18-37-31(13-1)29-32(30-52-37)53-38-19-7-3-15-34(38)50-44(53)27-28-45-51(50)35-16-4-9-21-40(35)55(45)42-23-11-22-41-48(42)33-14-2-8-20-39(33)54(41)43-24-12-26-47-49(43)36-17-5-10-25-46(36)56-47/h1-30H
InChIKeyYKFZVYAAFGEQEY-UHFFFAOYSA-N
MW714.83 g/mol
LogP13.43
Rot. Bonds3

About 9-(9-dibenzofuran-1-ylcarbazol-4-yl)-14-quinolin-3-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

9-(9-dibenzofuran-1-ylcarbazol-4-yl)-14-quinolin-3-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 (PubChem CID 134352644) has the molecular formula C51H30N4O and a molecular weight of 714.83 g/mol. Its IUPAC name is 9-(9-dibenzofuran-1-ylcarbazol-4-yl)-14-quinolin-3-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.

Molecular Properties

Compound Name9-(9-dibenzofuran-1-ylcarbazol-4-yl)-14-quinolin-3-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
PubChem CID134352644
Molecular FormulaC51H30N4O
Molecular Weight714.83 g/mol
Exact Mass714.24
IUPAC Name9-(9-dibenzofuran-1-ylcarbazol-4-yl)-14-quinolin-3-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
SMILESc1ccc2ncc(-n3c4ccccc4c4c5c6ccccc6n(-c6cccc7c6c6ccccc6n7-c6cccc7oc8ccccc8c67)c5ccc43)cc2c1
InChIInChI=1S/C51H30N4O/c1-6-18-37-31(13-1)29-32(30-52-37)53-38-19-7-3-15-34(38)50-44(53)27-28-45-51(50)35-16-4-9-21-40(35)55(45)42-23-11-22-41-48(42)33-14-2-8-20-39(33)54(41)43-24-12-26-47-49(43)36-17-5-10-25-46(36)56-47/h1-30H
InChIKeyYKFZVYAAFGEQEY-UHFFFAOYSA-N
XLogP13.43
TPSA40.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.83
LogP ≤ 513.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-(9-dibenzofuran-1-ylcarbazol-4-yl)-14-quinolin-3-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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

15-dibenzofuran-1-yl-10,20-diphenyl-10,15,20-triazaheptacyclo[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 174349977
9-dibenzofuran-1-yl-14-(3,5-diphenylphenyl)-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 171414752
9-dibenzofuran-1-yl-14-(4-naphthalen-1-ylphenyl)-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 167029624
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 67952738
9-[7-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-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 165166010
3-carbazol-9-yl-9-(8-carbazol-9-yldibenzofuran-1-yl)carbazole
CID 176831663
9-dibenzofuran-1-yl-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene
CID 122465457
12-dibenzofuran-1-yl-5-phenylindolo[3,2-c]carbazole
CID 167029676
14-[3-(4,6-diphenyl-1,3,5-triazin-2-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 147983982
4,9-di(dibenzofuran-1-yl)-14-(4-phenylphenyl)-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 178110232
3-carbazol-9-yl-9-[9-(9-carbazol-9-yldibenzofuran-3-yl)carbazol-3-yl]carbazole
CID 176831734
14-[2-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)carbazol-9-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 146226979

Frequently Asked Questions

What is the IUPAC name of 9-(9-dibenzofuran-1-ylcarbazol-4-yl)-14-quinolin-3-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?
The IUPAC name of 9-(9-dibenzofuran-1-ylcarbazol-4-yl)-14-quinolin-3-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 134352644) is 9-(9-dibenzofuran-1-ylcarbazol-4-yl)-14-quinolin-3-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.
What is the SMILES notation for 9-(9-dibenzofuran-1-ylcarbazol-4-yl)-14-quinolin-3-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?
The canonical SMILES for 9-(9-dibenzofuran-1-ylcarbazol-4-yl)-14-quinolin-3-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 is c1ccc2ncc(-n3c4ccccc4c4c5c6ccccc6n(-c6cccc7c6c6ccccc6n7-c6cccc7oc8ccccc8c67)c5ccc43)cc2c1.
What is the InChIKey of 9-(9-dibenzofuran-1-ylcarbazol-4-yl)-14-quinolin-3-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?
The InChIKey is YKFZVYAAFGEQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4O/c1-6-18-37-31(13-1)29-32(30-52-37)53-38-19-7-3-15-34(38)50-44(53)27-28-45-51(50)35-16-4-9-21-40(35)55(45)42-23-11-22-41-48(42)33-14-2-8-20-39(33)54(41)43-24-12-26-47-49(43)36-17-5-10-25-46(36)56-47/h1-30H.
What are the key properties of 9-(9-dibenzofuran-1-ylcarbazol-4-yl)-14-quinolin-3-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?
9-(9-dibenzofuran-1-ylcarbazol-4-yl)-14-quinolin-3-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 has a molecular weight of 714.83 g/mol, XLogP of 13.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9-dibenzofuran-1-ylcarbazol-4-yl)-14-quinolin-3-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 is sourced from PubChem (CID 134352644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).