3-cyclohexa-1,3-dien-1-yl-9-(2-dibenzofuran-4-yl-9-phenylcarbazol-4-yl)-6-phenylcarbazole

C54H36N2O — CID 163435129

IUPAC3-cyclohexa-1,3-dien-1-yl-9-(2-dibenzofuran-4-yl-9-phenylcarbazol-4-yl)-6-phenylcarbazole
SMILESC1=CCCC(c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cc(-c3cccc4c3oc3ccccc34)cc3c2c2ccccc2n3-c2ccccc2)=C1
InChIInChI=1S/C54H36N2O/c1-4-15-35(16-5-1)37-27-29-48-45(31-37)46-32-38(36-17-6-2-7-18-36)28-30-49(46)56(48)51-34-39(41-23-14-24-43-42-21-11-13-26-52(42)57-54(41)43)33-50-53(51)44-22-10-12-25-47(44)55(50)40-19-8-3-9-20-40/h1-6,8-17,19-34H,7,18H2
InChIKeyATVKDZJXOICPRY-UHFFFAOYSA-N
MW728.90 g/mol
LogP14.85
Rot. Bonds5

About 3-cyclohexa-1,3-dien-1-yl-9-(2-dibenzofuran-4-yl-9-phenylcarbazol-4-yl)-6-phenylcarbazole

3-cyclohexa-1,3-dien-1-yl-9-(2-dibenzofuran-4-yl-9-phenylcarbazol-4-yl)-6-phenylcarbazole (PubChem CID 163435129) has the molecular formula C54H36N2O and a molecular weight of 728.90 g/mol. Its IUPAC name is 3-cyclohexa-1,3-dien-1-yl-9-(2-dibenzofuran-4-yl-9-phenylcarbazol-4-yl)-6-phenylcarbazole.

Molecular Properties

Compound Name3-cyclohexa-1,3-dien-1-yl-9-(2-dibenzofuran-4-yl-9-phenylcarbazol-4-yl)-6-phenylcarbazole
PubChem CID163435129
Molecular FormulaC54H36N2O
Molecular Weight728.90 g/mol
Exact Mass728.28
IUPAC Name3-cyclohexa-1,3-dien-1-yl-9-(2-dibenzofuran-4-yl-9-phenylcarbazol-4-yl)-6-phenylcarbazole
SMILESC1=CCCC(c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cc(-c3cccc4c3oc3ccccc34)cc3c2c2ccccc2n3-c2ccccc2)=C1
InChIInChI=1S/C54H36N2O/c1-4-15-35(16-5-1)37-27-29-48-45(31-37)46-32-38(36-17-6-2-7-18-36)28-30-49(46)56(48)51-34-39(41-23-14-24-43-42-21-11-13-26-52(42)57-54(41)43)33-50-53(51)44-22-10-12-25-47(44)55(50)40-19-8-3-9-20-40/h1-6,8-17,19-34H,7,18H2
InChIKeyATVKDZJXOICPRY-UHFFFAOYSA-N
XLogP14.85
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.90
LogP ≤ 514.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-cyclohexa-1,3-dien-1-yl-9-(2-dibenzofuran-4-yl-9-phenylcarbazol-4-yl)-6-phenylcarbazole 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

3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 121262432
2-cyclohexa-1,3-dien-1-yl-9-[6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenylcarbazole
CID 155203381
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 134313296
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361
N-[4-[4-[4-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121443631
9-(4-carbazol-9-ylphenyl)-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;9-(4-dibenzofuran-4-ylphenyl)-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;9,14-diphenyl-5-(9-phenylcarbazol-3-yl)-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 159165938
3-dibenzofuran-4-yl-9-(2-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 177209647
12-(4-dibenzofuran-4-ylphenyl)-5,9-diphenylindolo[3,2-c]carbazole
CID 126580189
2-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-9-phenylcarbazole
CID 122492294
8-(8-cyclohexa-1,3-dien-1-yldibenzofuran-2-yl)-16-(8-phenyldibenzofuran-2-yl)-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-nonaene
CID 163487092
11-(4-dibenzofuran-4-ylphenyl)-3,5-diphenylindolo[3,2-b]carbazole
CID 126580169
6-(9-dibenzofuran-4-ylcarbazol-3-yl)-2,9-diphenylcarbazole
CID 170072505

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,3-dien-1-yl-9-(2-dibenzofuran-4-yl-9-phenylcarbazol-4-yl)-6-phenylcarbazole?
The IUPAC name of 3-cyclohexa-1,3-dien-1-yl-9-(2-dibenzofuran-4-yl-9-phenylcarbazol-4-yl)-6-phenylcarbazole (CID 163435129) is 3-cyclohexa-1,3-dien-1-yl-9-(2-dibenzofuran-4-yl-9-phenylcarbazol-4-yl)-6-phenylcarbazole.
What is the SMILES notation for 3-cyclohexa-1,3-dien-1-yl-9-(2-dibenzofuran-4-yl-9-phenylcarbazol-4-yl)-6-phenylcarbazole?
The canonical SMILES for 3-cyclohexa-1,3-dien-1-yl-9-(2-dibenzofuran-4-yl-9-phenylcarbazol-4-yl)-6-phenylcarbazole is C1=CCCC(c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cc(-c3cccc4c3oc3ccccc34)cc3c2c2ccccc2n3-c2ccccc2)=C1.
What is the InChIKey of 3-cyclohexa-1,3-dien-1-yl-9-(2-dibenzofuran-4-yl-9-phenylcarbazol-4-yl)-6-phenylcarbazole?
The InChIKey is ATVKDZJXOICPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2O/c1-4-15-35(16-5-1)37-27-29-48-45(31-37)46-32-38(36-17-6-2-7-18-36)28-30-49(46)56(48)51-34-39(41-23-14-24-43-42-21-11-13-26-52(42)57-54(41)43)33-50-53(51)44-22-10-12-25-47(44)55(50)40-19-8-3-9-20-40/h1-6,8-17,19-34H,7,18H2.
What are the key properties of 3-cyclohexa-1,3-dien-1-yl-9-(2-dibenzofuran-4-yl-9-phenylcarbazol-4-yl)-6-phenylcarbazole?
3-cyclohexa-1,3-dien-1-yl-9-(2-dibenzofuran-4-yl-9-phenylcarbazol-4-yl)-6-phenylcarbazole has a molecular weight of 728.90 g/mol, XLogP of 14.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-1,3-dien-1-yl-9-(2-dibenzofuran-4-yl-9-phenylcarbazol-4-yl)-6-phenylcarbazole is sourced from PubChem (CID 163435129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).