4-cyclohexa-2,4-dien-1-yl-9-[9-(4-phenylquinazolin-2-yl)dibenzofuran-3-yl]carbazole

C44H29N3O — CID 167200694

IUPAC4-cyclohexa-2,4-dien-1-yl-9-[9-(4-phenylquinazolin-2-yl)dibenzofuran-3-yl]carbazole
SMILESC1=CCC(c2cccc3c2c2ccccc2n3-c2ccc3c(c2)oc2cccc(-c4nc(-c5ccccc5)c5ccccc5n4)c23)C=C1
InChIInChI=1S/C44H29N3O/c1-3-13-28(14-4-1)31-19-11-23-38-41(31)33-18-8-10-22-37(33)47(38)30-25-26-34-40(27-30)48-39-24-12-20-35(42(34)39)44-45-36-21-9-7-17-32(36)43(46-44)29-15-5-2-6-16-29/h1-13,15-28H,14H2
InChIKeySVVHCWSJIKVMDG-UHFFFAOYSA-N
MW615.74 g/mol
LogP11.56
Rot. Bonds4

About 4-cyclohexa-2,4-dien-1-yl-9-[9-(4-phenylquinazolin-2-yl)dibenzofuran-3-yl]carbazole

4-cyclohexa-2,4-dien-1-yl-9-[9-(4-phenylquinazolin-2-yl)dibenzofuran-3-yl]carbazole (PubChem CID 167200694) has the molecular formula C44H29N3O and a molecular weight of 615.74 g/mol. Its IUPAC name is 4-cyclohexa-2,4-dien-1-yl-9-[9-(4-phenylquinazolin-2-yl)dibenzofuran-3-yl]carbazole.

Molecular Properties

Compound Name4-cyclohexa-2,4-dien-1-yl-9-[9-(4-phenylquinazolin-2-yl)dibenzofuran-3-yl]carbazole
PubChem CID167200694
Molecular FormulaC44H29N3O
Molecular Weight615.74 g/mol
Exact Mass615.23
IUPAC Name4-cyclohexa-2,4-dien-1-yl-9-[9-(4-phenylquinazolin-2-yl)dibenzofuran-3-yl]carbazole
SMILESC1=CCC(c2cccc3c2c2ccccc2n3-c2ccc3c(c2)oc2cccc(-c4nc(-c5ccccc5)c5ccccc5n4)c23)C=C1
InChIInChI=1S/C44H29N3O/c1-3-13-28(14-4-1)31-19-11-23-38-41(31)33-18-8-10-22-37(33)47(38)30-25-26-34-40(27-30)48-39-24-12-20-35(42(34)39)44-45-36-21-9-7-17-32(36)43(46-44)29-15-5-2-6-16-29/h1-13,15-28H,14H2
InChIKeySVVHCWSJIKVMDG-UHFFFAOYSA-N
XLogP11.56
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.74
LogP ≤ 511.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenyl-11-[9-(4-phenylquinazolin-2-yl)dibenzofuran-3-yl]indolo[3,2-b]carbazole
CID 146334039
9-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-4-phenylcarbazole
CID 166953278
4-cyclohexa-2,4-dien-1-yl-9-[7-(2-phenylquinolin-4-yl)dibenzofuran-4-yl]carbazole
CID 166668208
9-(3-phenylphenyl)-3-[9-[4-(3-phenylphenyl)quinazolin-2-yl]dibenzofuran-3-yl]carbazole
CID 134594925
4-phenyl-9-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 146337627
9-phenyl-14-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-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 176817804
9-[9-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-4-phenylcarbazole
CID 169059387
9-cyclohexa-2,4-dien-1-yl-12-(4-naphtho[2,1-b][1]benzofuran-8-ylquinazolin-2-yl)-15-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(4-naphtho[2,1-b][1]benzofuran-8-ylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(4-naphtho[2,1-b][1]benzofuran-8-ylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 159881706
9-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]carbazole
CID 146333965
9-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]carbazole
CID 146334011
3-[9-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]carbazol-3-yl]-9-phenylcarbazole
CID 146334319
7-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]benzo[c]carbazole
CID 170253451

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-2,4-dien-1-yl-9-[9-(4-phenylquinazolin-2-yl)dibenzofuran-3-yl]carbazole?
The IUPAC name of 4-cyclohexa-2,4-dien-1-yl-9-[9-(4-phenylquinazolin-2-yl)dibenzofuran-3-yl]carbazole (CID 167200694) is 4-cyclohexa-2,4-dien-1-yl-9-[9-(4-phenylquinazolin-2-yl)dibenzofuran-3-yl]carbazole.
What is the SMILES notation for 4-cyclohexa-2,4-dien-1-yl-9-[9-(4-phenylquinazolin-2-yl)dibenzofuran-3-yl]carbazole?
The canonical SMILES for 4-cyclohexa-2,4-dien-1-yl-9-[9-(4-phenylquinazolin-2-yl)dibenzofuran-3-yl]carbazole is C1=CCC(c2cccc3c2c2ccccc2n3-c2ccc3c(c2)oc2cccc(-c4nc(-c5ccccc5)c5ccccc5n4)c23)C=C1.
What is the InChIKey of 4-cyclohexa-2,4-dien-1-yl-9-[9-(4-phenylquinazolin-2-yl)dibenzofuran-3-yl]carbazole?
The InChIKey is SVVHCWSJIKVMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3O/c1-3-13-28(14-4-1)31-19-11-23-38-41(31)33-18-8-10-22-37(33)47(38)30-25-26-34-40(27-30)48-39-24-12-20-35(42(34)39)44-45-36-21-9-7-17-32(36)43(46-44)29-15-5-2-6-16-29/h1-13,15-28H,14H2.
What are the key properties of 4-cyclohexa-2,4-dien-1-yl-9-[9-(4-phenylquinazolin-2-yl)dibenzofuran-3-yl]carbazole?
4-cyclohexa-2,4-dien-1-yl-9-[9-(4-phenylquinazolin-2-yl)dibenzofuran-3-yl]carbazole has a molecular weight of 615.74 g/mol, XLogP of 11.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-2,4-dien-1-yl-9-[9-(4-phenylquinazolin-2-yl)dibenzofuran-3-yl]carbazole is sourced from PubChem (CID 167200694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).