9-[2-[2-methyl-4-phenyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]dibenzofuran-4-yl]carbazole

C44H31NO — CID 167067668

IUPAC9-[2-[2-methyl-4-phenyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]dibenzofuran-4-yl]carbazole
SMILESC/C=C\c1c(C)c(-c2cc(-n3c4ccccc4c4ccccc43)c3oc4ccccc4c3c2)c2ccccc2c1-c1ccccc1
InChIInChI=1S/C44H31NO/c1-3-15-31-28(2)42(35-21-7-8-22-36(35)43(31)29-16-5-4-6-17-29)30-26-37-34-20-11-14-25-41(34)46-44(37)40(27-30)45-38-23-12-9-18-32(38)33-19-10-13-24-39(33)45/h3-27H,1-2H3/b15-3-
InChIKeyPFQMOAUSHCBPLO-CQPUUCJISA-N
MW589.74 g/mol
LogP12.51
Rot. Bonds4

About 9-[2-[2-methyl-4-phenyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]dibenzofuran-4-yl]carbazole

9-[2-[2-methyl-4-phenyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]dibenzofuran-4-yl]carbazole (PubChem CID 167067668) has the molecular formula C44H31NO and a molecular weight of 589.74 g/mol. Its IUPAC name is 9-[2-[2-methyl-4-phenyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]dibenzofuran-4-yl]carbazole.

Molecular Properties

Compound Name9-[2-[2-methyl-4-phenyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]dibenzofuran-4-yl]carbazole
PubChem CID167067668
Molecular FormulaC44H31NO
Molecular Weight589.74 g/mol
Exact Mass589.24
IUPAC Name9-[2-[2-methyl-4-phenyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]dibenzofuran-4-yl]carbazole
SMILESC/C=C\c1c(C)c(-c2cc(-n3c4ccccc4c4ccccc43)c3oc4ccccc4c3c2)c2ccccc2c1-c1ccccc1
InChIInChI=1S/C44H31NO/c1-3-15-31-28(2)42(35-21-7-8-22-36(35)43(31)29-16-5-4-6-17-29)30-26-37-34-20-11-14-25-41(34)46-44(37)40(27-30)45-38-23-12-9-18-32(38)33-19-10-13-24-39(33)45/h3-27H,1-2H3/b15-3-
InChIKeyPFQMOAUSHCBPLO-CQPUUCJISA-N
XLogP12.51
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.74
LogP ≤ 512.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(4-carbazol-9-yldibenzofuran-2-yl)phenyl]-9-phenylcarbazole;ethane
CID 144723930
2-[9-(2-phenyldibenzofuran-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 167201110
2-(9-phenylcarbazol-3-yl)-9-(2-phenyldibenzofuran-4-yl)carbazole
CID 167200544
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4-phenylphenyl)dibenzofuran-4-yl]carbazole
CID 139555564
5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole
CID 166495995
9-(6-carbazol-9-yl-8-dibenzofuran-2-yldibenzofuran-2-yl)carbazole
CID 58099651
9-[2-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran-4-yl]carbazole
CID 165169914
6-(9-dibenzofuran-4-ylcarbazol-3-yl)-2,9-diphenylcarbazole
CID 170072505
3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole
CID 58058989
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-4-yl]carbazole
CID 166495739
9-dibenzofuran-4-yl-3-(9-dibenzofuran-4-ylcarbazol-2-yl)-2-phenylcarbazole
CID 90348741
3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(8-phenyldibenzofuran-2-yl)carbazole
CID 123500568

Frequently Asked Questions

What is the IUPAC name of 9-[2-[2-methyl-4-phenyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]dibenzofuran-4-yl]carbazole?
The IUPAC name of 9-[2-[2-methyl-4-phenyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]dibenzofuran-4-yl]carbazole (CID 167067668) is 9-[2-[2-methyl-4-phenyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]dibenzofuran-4-yl]carbazole.
What is the SMILES notation for 9-[2-[2-methyl-4-phenyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]dibenzofuran-4-yl]carbazole?
The canonical SMILES for 9-[2-[2-methyl-4-phenyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]dibenzofuran-4-yl]carbazole is C/C=C\c1c(C)c(-c2cc(-n3c4ccccc4c4ccccc43)c3oc4ccccc4c3c2)c2ccccc2c1-c1ccccc1.
What is the InChIKey of 9-[2-[2-methyl-4-phenyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]dibenzofuran-4-yl]carbazole?
The InChIKey is PFQMOAUSHCBPLO-CQPUUCJISA-N. The full InChI is InChI=1S/C44H31NO/c1-3-15-31-28(2)42(35-21-7-8-22-36(35)43(31)29-16-5-4-6-17-29)30-26-37-34-20-11-14-25-41(34)46-44(37)40(27-30)45-38-23-12-9-18-32(38)33-19-10-13-24-39(33)45/h3-27H,1-2H3/b15-3-.
What are the key properties of 9-[2-[2-methyl-4-phenyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]dibenzofuran-4-yl]carbazole?
9-[2-[2-methyl-4-phenyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]dibenzofuran-4-yl]carbazole has a molecular weight of 589.74 g/mol, XLogP of 12.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[2-methyl-4-phenyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]dibenzofuran-4-yl]carbazole is sourced from PubChem (CID 167067668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).