2-[3-(6-carbazol-9-yl-2,3-dihydrodibenzofuran-2-yl)-2-methylidenebenzimidazol-1-yl]aniline

C38H28N4O — CID 88992255

IUPAC2-[3-(6-carbazol-9-yl-2,3-dihydrodibenzofuran-2-yl)-2-methylidenebenzimidazol-1-yl]aniline
SMILESC=C1N(c2ccccc2N)c2ccccc2N1C1C=c2c(oc3c(-n4c5ccccc5c5ccccc54)cccc23)=CC1
InChIInChI=1S/C38H28N4O/c1-24-40(34-18-8-9-19-35(34)41(24)33-17-7-4-14-30(33)39)25-21-22-37-29(23-25)28-13-10-20-36(38(28)43-37)42-31-15-5-2-11-26(31)27-12-3-6-16-32(27)42/h2-20,22-23,25H,1,21,39H2
InChIKeyXADHYQCXPFNJAU-UHFFFAOYSA-N
MW556.67 g/mol
LogP7.57
Rot. Bonds3

About 2-[3-(6-carbazol-9-yl-2,3-dihydrodibenzofuran-2-yl)-2-methylidenebenzimidazol-1-yl]aniline

2-[3-(6-carbazol-9-yl-2,3-dihydrodibenzofuran-2-yl)-2-methylidenebenzimidazol-1-yl]aniline (PubChem CID 88992255) has the molecular formula C38H28N4O and a molecular weight of 556.67 g/mol. Its IUPAC name is 2-[3-(6-carbazol-9-yl-2,3-dihydrodibenzofuran-2-yl)-2-methylidenebenzimidazol-1-yl]aniline.

Molecular Properties

Compound Name2-[3-(6-carbazol-9-yl-2,3-dihydrodibenzofuran-2-yl)-2-methylidenebenzimidazol-1-yl]aniline
PubChem CID88992255
Molecular FormulaC38H28N4O
Molecular Weight556.67 g/mol
Exact Mass556.23
IUPAC Name2-[3-(6-carbazol-9-yl-2,3-dihydrodibenzofuran-2-yl)-2-methylidenebenzimidazol-1-yl]aniline
SMILESC=C1N(c2ccccc2N)c2ccccc2N1C1C=c2c(oc3c(-n4c5ccccc5c5ccccc54)cccc23)=CC1
InChIInChI=1S/C38H28N4O/c1-24-40(34-18-8-9-19-35(34)41(24)33-17-7-4-14-30(33)39)25-21-22-37-29(23-25)28-13-10-20-36(38(28)43-37)42-31-15-5-2-11-26(31)27-12-3-6-16-32(27)42/h2-20,22-23,25H,1,21,39H2
InChIKeyXADHYQCXPFNJAU-UHFFFAOYSA-N
XLogP7.57
TPSA50.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.67
LogP ≤ 57.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-carbazol-9-yl-2,3-dihydrodibenzofuran-2-yl)-2-methylidenebenzimidazol-1-yl]aniline?
The IUPAC name of 2-[3-(6-carbazol-9-yl-2,3-dihydrodibenzofuran-2-yl)-2-methylidenebenzimidazol-1-yl]aniline (CID 88992255) is 2-[3-(6-carbazol-9-yl-2,3-dihydrodibenzofuran-2-yl)-2-methylidenebenzimidazol-1-yl]aniline.
What is the SMILES notation for 2-[3-(6-carbazol-9-yl-2,3-dihydrodibenzofuran-2-yl)-2-methylidenebenzimidazol-1-yl]aniline?
The canonical SMILES for 2-[3-(6-carbazol-9-yl-2,3-dihydrodibenzofuran-2-yl)-2-methylidenebenzimidazol-1-yl]aniline is C=C1N(c2ccccc2N)c2ccccc2N1C1C=c2c(oc3c(-n4c5ccccc5c5ccccc54)cccc23)=CC1.
What is the InChIKey of 2-[3-(6-carbazol-9-yl-2,3-dihydrodibenzofuran-2-yl)-2-methylidenebenzimidazol-1-yl]aniline?
The InChIKey is XADHYQCXPFNJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28N4O/c1-24-40(34-18-8-9-19-35(34)41(24)33-17-7-4-14-30(33)39)25-21-22-37-29(23-25)28-13-10-20-36(38(28)43-37)42-31-15-5-2-11-26(31)27-12-3-6-16-32(27)42/h2-20,22-23,25H,1,21,39H2.
What are the key properties of 2-[3-(6-carbazol-9-yl-2,3-dihydrodibenzofuran-2-yl)-2-methylidenebenzimidazol-1-yl]aniline?
2-[3-(6-carbazol-9-yl-2,3-dihydrodibenzofuran-2-yl)-2-methylidenebenzimidazol-1-yl]aniline has a molecular weight of 556.67 g/mol, XLogP of 7.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-carbazol-9-yl-2,3-dihydrodibenzofuran-2-yl)-2-methylidenebenzimidazol-1-yl]aniline is sourced from PubChem (CID 88992255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).