9-(3-cyclohex-2-en-1-yl-5-phenylphenyl)-3-(9-dibenzofuran-2-yl-1,2,3,4-tetrahydrocarbazol-3-yl)carbazole

C54H42N2O — CID 146266677

IUPAC9-(3-cyclohex-2-en-1-yl-5-phenylphenyl)-3-(9-dibenzofuran-2-yl-1,2,3,4-tetrahydrocarbazol-3-yl)carbazole
SMILESC1=CC(c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(C5CCc6c(c7ccccc7n6-c6ccc7oc8ccccc8c7c6)C5)ccc43)c2)CCC1
InChIInChI=1S/C54H42N2O/c1-3-13-35(14-4-1)39-29-40(36-15-5-2-6-16-36)31-42(30-39)56-50-21-11-8-18-44(50)47-33-38(24-27-52(47)56)37-23-26-51-46(32-37)43-17-7-10-20-49(43)55(51)41-25-28-54-48(34-41)45-19-9-12-22-53(45)57-54/h1,3-5,7-15,17-22,24-25,27-31,33-34,36-37H,2,6,16,23,26,32H2
InChIKeyYYHGHDNARQFIGB-UHFFFAOYSA-N
MW734.94 g/mol
LogP14.39
Rot. Bonds5

About 9-(3-cyclohex-2-en-1-yl-5-phenylphenyl)-3-(9-dibenzofuran-2-yl-1,2,3,4-tetrahydrocarbazol-3-yl)carbazole

9-(3-cyclohex-2-en-1-yl-5-phenylphenyl)-3-(9-dibenzofuran-2-yl-1,2,3,4-tetrahydrocarbazol-3-yl)carbazole (PubChem CID 146266677) has the molecular formula C54H42N2O and a molecular weight of 734.94 g/mol. Its IUPAC name is 9-(3-cyclohex-2-en-1-yl-5-phenylphenyl)-3-(9-dibenzofuran-2-yl-1,2,3,4-tetrahydrocarbazol-3-yl)carbazole.

Molecular Properties

Compound Name9-(3-cyclohex-2-en-1-yl-5-phenylphenyl)-3-(9-dibenzofuran-2-yl-1,2,3,4-tetrahydrocarbazol-3-yl)carbazole
PubChem CID146266677
Molecular FormulaC54H42N2O
Molecular Weight734.94 g/mol
Exact Mass734.33
IUPAC Name9-(3-cyclohex-2-en-1-yl-5-phenylphenyl)-3-(9-dibenzofuran-2-yl-1,2,3,4-tetrahydrocarbazol-3-yl)carbazole
SMILESC1=CC(c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(C5CCc6c(c7ccccc7n6-c6ccc7oc8ccccc8c7c6)C5)ccc43)c2)CCC1
InChIInChI=1S/C54H42N2O/c1-3-13-35(14-4-1)39-29-40(36-15-5-2-6-16-36)31-42(30-39)56-50-21-11-8-18-44(50)47-33-38(24-27-52(47)56)37-23-26-51-46(32-37)43-17-7-10-20-49(43)55(51)41-25-28-54-48(34-41)45-19-9-12-22-53(45)57-54/h1,3-5,7-15,17-22,24-25,27-31,33-34,36-37H,2,6,16,23,26,32H2
InChIKeyYYHGHDNARQFIGB-UHFFFAOYSA-N
XLogP14.39
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.94
LogP ≤ 514.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3,5-diphenylphenyl)carbazole
CID 71100014
3-carbazol-9-yl-9-[3-phenyl-5-(8-phenyldibenzofuran-2-yl)phenyl]carbazole;3-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-6,9-diphenylcarbazole;3-dibenzofuran-2-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 159930551
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole
CID 129265423
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-6-phenyl-9-(3-phenylphenyl)carbazole
CID 170072680
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 90350922
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-(3,5-diphenylphenyl)carbazole;ethane
CID 144605145
9-dibenzofuran-2-yl-3-[3-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 123613126
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
9-[8-[3-[(8-cyclohexyldibenzofuran-3-yl)methyl]phenyl]dibenzofuran-2-yl]-3-phenylcarbazole
CID 145421619
3-phenyl-9-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole
CID 170390017
9-(8-carbazol-9-yldibenzofuran-2-yl)-3-(6-methylcyclohexa-2,4-dien-1-yl)-6-phenylcarbazole
CID 163978275
3-[9-(4-dibenzofuran-2-ylphenyl)-7-methyl-7,8-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 159168669

Frequently Asked Questions

What is the IUPAC name of 9-(3-cyclohex-2-en-1-yl-5-phenylphenyl)-3-(9-dibenzofuran-2-yl-1,2,3,4-tetrahydrocarbazol-3-yl)carbazole?
The IUPAC name of 9-(3-cyclohex-2-en-1-yl-5-phenylphenyl)-3-(9-dibenzofuran-2-yl-1,2,3,4-tetrahydrocarbazol-3-yl)carbazole (CID 146266677) is 9-(3-cyclohex-2-en-1-yl-5-phenylphenyl)-3-(9-dibenzofuran-2-yl-1,2,3,4-tetrahydrocarbazol-3-yl)carbazole.
What is the SMILES notation for 9-(3-cyclohex-2-en-1-yl-5-phenylphenyl)-3-(9-dibenzofuran-2-yl-1,2,3,4-tetrahydrocarbazol-3-yl)carbazole?
The canonical SMILES for 9-(3-cyclohex-2-en-1-yl-5-phenylphenyl)-3-(9-dibenzofuran-2-yl-1,2,3,4-tetrahydrocarbazol-3-yl)carbazole is C1=CC(c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(C5CCc6c(c7ccccc7n6-c6ccc7oc8ccccc8c7c6)C5)ccc43)c2)CCC1.
What is the InChIKey of 9-(3-cyclohex-2-en-1-yl-5-phenylphenyl)-3-(9-dibenzofuran-2-yl-1,2,3,4-tetrahydrocarbazol-3-yl)carbazole?
The InChIKey is YYHGHDNARQFIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H42N2O/c1-3-13-35(14-4-1)39-29-40(36-15-5-2-6-16-36)31-42(30-39)56-50-21-11-8-18-44(50)47-33-38(24-27-52(47)56)37-23-26-51-46(32-37)43-17-7-10-20-49(43)55(51)41-25-28-54-48(34-41)45-19-9-12-22-53(45)57-54/h1,3-5,7-15,17-22,24-25,27-31,33-34,36-37H,2,6,16,23,26,32H2.
What are the key properties of 9-(3-cyclohex-2-en-1-yl-5-phenylphenyl)-3-(9-dibenzofuran-2-yl-1,2,3,4-tetrahydrocarbazol-3-yl)carbazole?
9-(3-cyclohex-2-en-1-yl-5-phenylphenyl)-3-(9-dibenzofuran-2-yl-1,2,3,4-tetrahydrocarbazol-3-yl)carbazole has a molecular weight of 734.94 g/mol, XLogP of 14.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-cyclohex-2-en-1-yl-5-phenylphenyl)-3-(9-dibenzofuran-2-yl-1,2,3,4-tetrahydrocarbazol-3-yl)carbazole is sourced from PubChem (CID 146266677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).