5-cyclohexa-1,3-dien-1-yl-3-(14,14-dimethyl-9-phenyl-9-azapentacyclo[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)-[1]benzofuro[3,2-c]carbazole

C51H36N2O — CID 163477531

IUPAC5-cyclohexa-1,3-dien-1-yl-3-(14,14-dimethyl-9-phenyl-9-azapentacyclo[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)-[1]benzofuro[3,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2c1ccc1c2c2cc(-c3ccc4c5c6oc7ccccc7c6ccc5n(C5=CC=CCC5)c4c3)ccc2n1-c1ccccc1
InChIInChI=1S/C51H36N2O/c1-51(2)40-19-11-9-18-37(40)47-41(51)25-28-43-48(47)39-29-31(22-26-42(39)52(43)33-13-5-3-6-14-33)32-21-23-38-45(30-32)53(34-15-7-4-8-16-34)44-27-24-36-35-17-10-12-20-46(35)54-50(36)49(38)44/h3-7,9-15,17-30H,8,16H2,1-2H3
InChIKeyCBSPRPUFOAWLEJ-UHFFFAOYSA-N
MW692.86 g/mol
LogP13.96
Rot. Bonds3

About 5-cyclohexa-1,3-dien-1-yl-3-(14,14-dimethyl-9-phenyl-9-azapentacyclo[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)-[1]benzofuro[3,2-c]carbazole

5-cyclohexa-1,3-dien-1-yl-3-(14,14-dimethyl-9-phenyl-9-azapentacyclo[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)-[1]benzofuro[3,2-c]carbazole (PubChem CID 163477531) has the molecular formula C51H36N2O and a molecular weight of 692.86 g/mol. Its IUPAC name is 5-cyclohexa-1,3-dien-1-yl-3-(14,14-dimethyl-9-phenyl-9-azapentacyclo[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)-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-cyclohexa-1,3-dien-1-yl-3-(14,14-dimethyl-9-phenyl-9-azapentacyclo[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)-[1]benzofuro[3,2-c]carbazole
PubChem CID163477531
Molecular FormulaC51H36N2O
Molecular Weight692.86 g/mol
Exact Mass692.28
IUPAC Name5-cyclohexa-1,3-dien-1-yl-3-(14,14-dimethyl-9-phenyl-9-azapentacyclo[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)-[1]benzofuro[3,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2c1ccc1c2c2cc(-c3ccc4c5c6oc7ccccc7c6ccc5n(C5=CC=CCC5)c4c3)ccc2n1-c1ccccc1
InChIInChI=1S/C51H36N2O/c1-51(2)40-19-11-9-18-37(40)47-41(51)25-28-43-48(47)39-29-31(22-26-42(39)52(43)33-13-5-3-6-14-33)32-21-23-38-45(30-32)53(34-15-7-4-8-16-34)44-27-24-36-35-17-10-12-20-46(35)54-50(36)49(38)44/h3-7,9-15,17-30H,8,16H2,1-2H3
InChIKeyCBSPRPUFOAWLEJ-UHFFFAOYSA-N
XLogP13.96
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.86
LogP ≤ 513.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-cyclohexa-1,3-dien-1-yl-3-(14,14-dimethyl-9-phenyl-9-azapentacyclo[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)-[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-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 134223381
2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 118099198
2-(14,14-dimethyl-9-phenyl-9-azapentacyclo[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-6,7-dihydro-[1]benzofuro[3,2-c]carbazole
CID 145140965
2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole
CID 118099086
3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole
CID 118099158
3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-6,9-diphenylcarbazole
CID 118099085
N-[3-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-4-amine
CID 170286545
5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 90057439
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
15-(9,9-dimethylfluoren-2-yl)-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
CID 118545892
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

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexa-1,3-dien-1-yl-3-(14,14-dimethyl-9-phenyl-9-azapentacyclo[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)-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-cyclohexa-1,3-dien-1-yl-3-(14,14-dimethyl-9-phenyl-9-azapentacyclo[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)-[1]benzofuro[3,2-c]carbazole (CID 163477531) is 5-cyclohexa-1,3-dien-1-yl-3-(14,14-dimethyl-9-phenyl-9-azapentacyclo[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)-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-cyclohexa-1,3-dien-1-yl-3-(14,14-dimethyl-9-phenyl-9-azapentacyclo[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)-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-cyclohexa-1,3-dien-1-yl-3-(14,14-dimethyl-9-phenyl-9-azapentacyclo[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)-[1]benzofuro[3,2-c]carbazole is CC1(C)c2ccccc2-c2c1ccc1c2c2cc(-c3ccc4c5c6oc7ccccc7c6ccc5n(C5=CC=CCC5)c4c3)ccc2n1-c1ccccc1.
What is the InChIKey of 5-cyclohexa-1,3-dien-1-yl-3-(14,14-dimethyl-9-phenyl-9-azapentacyclo[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)-[1]benzofuro[3,2-c]carbazole?
The InChIKey is CBSPRPUFOAWLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N2O/c1-51(2)40-19-11-9-18-37(40)47-41(51)25-28-43-48(47)39-29-31(22-26-42(39)52(43)33-13-5-3-6-14-33)32-21-23-38-45(30-32)53(34-15-7-4-8-16-34)44-27-24-36-35-17-10-12-20-46(35)54-50(36)49(38)44/h3-7,9-15,17-30H,8,16H2,1-2H3.
What are the key properties of 5-cyclohexa-1,3-dien-1-yl-3-(14,14-dimethyl-9-phenyl-9-azapentacyclo[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)-[1]benzofuro[3,2-c]carbazole?
5-cyclohexa-1,3-dien-1-yl-3-(14,14-dimethyl-9-phenyl-9-azapentacyclo[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)-[1]benzofuro[3,2-c]carbazole has a molecular weight of 692.86 g/mol, XLogP of 13.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexa-1,3-dien-1-yl-3-(14,14-dimethyl-9-phenyl-9-azapentacyclo[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)-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 163477531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).