4-cyclohexa-2,4-dien-1-yl-9-[7-(2-phenylquinolin-4-yl)dibenzofuran-4-yl]carbazole

C45H30N2O — CID 166668208

IUPAC4-cyclohexa-2,4-dien-1-yl-9-[7-(2-phenylquinolin-4-yl)dibenzofuran-4-yl]carbazole
SMILESC1=CCC(c2cccc3c2c2ccccc2n3-c2cccc3c2oc2cc(-c4cc(-c5ccccc5)nc5ccccc45)ccc23)C=C1
InChIInChI=1S/C45H30N2O/c1-3-13-29(14-4-1)32-19-11-23-41-44(32)36-18-8-10-22-40(36)47(41)42-24-12-20-35-34-26-25-31(27-43(34)48-45(35)42)37-28-39(30-15-5-2-6-16-30)46-38-21-9-7-17-33(37)38/h1-13,15-29H,14H2
InChIKeyYUGHHCQSGBAHGL-UHFFFAOYSA-N
MW614.75 g/mol
LogP12.16
Rot. Bonds4

About 4-cyclohexa-2,4-dien-1-yl-9-[7-(2-phenylquinolin-4-yl)dibenzofuran-4-yl]carbazole

4-cyclohexa-2,4-dien-1-yl-9-[7-(2-phenylquinolin-4-yl)dibenzofuran-4-yl]carbazole (PubChem CID 166668208) has the molecular formula C45H30N2O and a molecular weight of 614.75 g/mol. Its IUPAC name is 4-cyclohexa-2,4-dien-1-yl-9-[7-(2-phenylquinolin-4-yl)dibenzofuran-4-yl]carbazole.

Molecular Properties

Compound Name4-cyclohexa-2,4-dien-1-yl-9-[7-(2-phenylquinolin-4-yl)dibenzofuran-4-yl]carbazole
PubChem CID166668208
Molecular FormulaC45H30N2O
Molecular Weight614.75 g/mol
Exact Mass614.24
IUPAC Name4-cyclohexa-2,4-dien-1-yl-9-[7-(2-phenylquinolin-4-yl)dibenzofuran-4-yl]carbazole
SMILESC1=CCC(c2cccc3c2c2ccccc2n3-c2cccc3c2oc2cc(-c4cc(-c5ccccc5)nc5ccccc45)ccc23)C=C1
InChIInChI=1S/C45H30N2O/c1-3-13-29(14-4-1)32-19-11-23-41-44(32)36-18-8-10-22-40(36)47(41)42-24-12-20-35-34-26-25-31(27-43(34)48-45(35)42)37-28-39(30-15-5-2-6-16-30)46-38-21-9-7-17-33(37)38/h1-13,15-29H,14H2
InChIKeyYUGHHCQSGBAHGL-UHFFFAOYSA-N
XLogP12.16
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.75
LogP ≤ 512.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclohexa-2,4-dien-1-yl-9-[9-(4-phenylquinazolin-2-yl)dibenzofuran-3-yl]carbazole
CID 167200694
6-cyclohexa-2,4-dien-1-yl-3-phenyldibenzofuran
CID 175970496
24-[4-(2-cyclohexa-2,4-dien-1-yl-6-phenylpyrimidin-4-yl)-2,6-diphenylphenyl]-4,15-dioxa-24-azaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
CID 165081797
9-dibenzofuran-4-yl-4-[6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]carbazole
CID 139556110
9-dibenzofuran-4-yl-14-(2,6-diphenyl-4-pyridinyl)-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 121385469
4-phenyl-9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 146335946
9-[7-(3-phenylnaphthalen-1-yl)dibenzofuran-4-yl]carbazole
CID 146335839
5-[2-[(1R)-cyclohexa-2,4-dien-1-yl]-6-phenylpyrimidin-4-yl]-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 126656335
4-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)-3-phenylcarbazole
CID 90348778
9-[6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-4-yl]carbazole
CID 169011187
9-[6-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-4-yl]carbazole
CID 169010985
7-[7-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[c]carbazole
CID 162501371

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-2,4-dien-1-yl-9-[7-(2-phenylquinolin-4-yl)dibenzofuran-4-yl]carbazole?
The IUPAC name of 4-cyclohexa-2,4-dien-1-yl-9-[7-(2-phenylquinolin-4-yl)dibenzofuran-4-yl]carbazole (CID 166668208) is 4-cyclohexa-2,4-dien-1-yl-9-[7-(2-phenylquinolin-4-yl)dibenzofuran-4-yl]carbazole.
What is the SMILES notation for 4-cyclohexa-2,4-dien-1-yl-9-[7-(2-phenylquinolin-4-yl)dibenzofuran-4-yl]carbazole?
The canonical SMILES for 4-cyclohexa-2,4-dien-1-yl-9-[7-(2-phenylquinolin-4-yl)dibenzofuran-4-yl]carbazole is C1=CCC(c2cccc3c2c2ccccc2n3-c2cccc3c2oc2cc(-c4cc(-c5ccccc5)nc5ccccc45)ccc23)C=C1.
What is the InChIKey of 4-cyclohexa-2,4-dien-1-yl-9-[7-(2-phenylquinolin-4-yl)dibenzofuran-4-yl]carbazole?
The InChIKey is YUGHHCQSGBAHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N2O/c1-3-13-29(14-4-1)32-19-11-23-41-44(32)36-18-8-10-22-40(36)47(41)42-24-12-20-35-34-26-25-31(27-43(34)48-45(35)42)37-28-39(30-15-5-2-6-16-30)46-38-21-9-7-17-33(37)38/h1-13,15-29H,14H2.
What are the key properties of 4-cyclohexa-2,4-dien-1-yl-9-[7-(2-phenylquinolin-4-yl)dibenzofuran-4-yl]carbazole?
4-cyclohexa-2,4-dien-1-yl-9-[7-(2-phenylquinolin-4-yl)dibenzofuran-4-yl]carbazole has a molecular weight of 614.75 g/mol, XLogP of 12.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-2,4-dien-1-yl-9-[7-(2-phenylquinolin-4-yl)dibenzofuran-4-yl]carbazole is sourced from PubChem (CID 166668208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).