4-[3-[5-(2-dibenzofuran-4-ylethyl)-7-methyl-8-[(Z)-prop-1-enyl]naphthalen-1-yl]-5-dibenzothiophen-4-ylphenyl]-9-phenylcarbazole

C64H45NOS — CID 129225547

IUPAC4-[3-[5-(2-dibenzofuran-4-ylethyl)-7-methyl-8-[(Z)-prop-1-enyl]naphthalen-1-yl]-5-dibenzothiophen-4-ylphenyl]-9-phenylcarbazole
SMILESC/C=C\c1c(C)cc(CCc2cccc3c2oc2ccccc23)c2cccc(-c3cc(-c4cccc5c4sc4ccccc45)cc(-c4cccc5c4c4ccccc4n5-c4ccccc4)c3)c12
InChIInChI=1S/C64H45NOS/c1-3-17-47-40(2)36-42(35-34-41-18-13-28-54-52-21-8-11-32-59(52)66-63(41)54)48-24-14-25-49(61(47)48)43-37-44(39-45(38-43)51-27-15-29-55-53-22-9-12-33-60(53)67-64(51)55)50-26-16-31-58-62(50)56-23-7-10-30-57(56)65(58)46-19-5-4-6-20-46/h3-33,36-39H,34-35H2,1-2H3/b17-3-
InChIKeyXFUZXMXBQLPMSP-YPEHOIGNSA-N
MW876.14 g/mol
LogP18.33
Rot. Bonds8

About 4-[3-[5-(2-dibenzofuran-4-ylethyl)-7-methyl-8-[(Z)-prop-1-enyl]naphthalen-1-yl]-5-dibenzothiophen-4-ylphenyl]-9-phenylcarbazole

4-[3-[5-(2-dibenzofuran-4-ylethyl)-7-methyl-8-[(Z)-prop-1-enyl]naphthalen-1-yl]-5-dibenzothiophen-4-ylphenyl]-9-phenylcarbazole (PubChem CID 129225547) has the molecular formula C64H45NOS and a molecular weight of 876.14 g/mol. Its IUPAC name is 4-[3-[5-(2-dibenzofuran-4-ylethyl)-7-methyl-8-[(Z)-prop-1-enyl]naphthalen-1-yl]-5-dibenzothiophen-4-ylphenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name4-[3-[5-(2-dibenzofuran-4-ylethyl)-7-methyl-8-[(Z)-prop-1-enyl]naphthalen-1-yl]-5-dibenzothiophen-4-ylphenyl]-9-phenylcarbazole
PubChem CID129225547
Molecular FormulaC64H45NOS
Molecular Weight876.14 g/mol
Exact Mass875.32
IUPAC Name4-[3-[5-(2-dibenzofuran-4-ylethyl)-7-methyl-8-[(Z)-prop-1-enyl]naphthalen-1-yl]-5-dibenzothiophen-4-ylphenyl]-9-phenylcarbazole
SMILESC/C=C\c1c(C)cc(CCc2cccc3c2oc2ccccc23)c2cccc(-c3cc(-c4cccc5c4sc4ccccc45)cc(-c4cccc5c4c4ccccc4n5-c4ccccc4)c3)c12
InChIInChI=1S/C64H45NOS/c1-3-17-47-40(2)36-42(35-34-41-18-13-28-54-52-21-8-11-32-59(52)66-63(41)54)48-24-14-25-49(61(47)48)43-37-44(39-45(38-43)51-27-15-29-55-53-22-9-12-33-60(53)67-64(51)55)50-26-16-31-58-62(50)56-23-7-10-30-57(56)65(58)46-19-5-4-6-20-46/h3-33,36-39H,34-35H2,1-2H3/b17-3-
InChIKeyXFUZXMXBQLPMSP-YPEHOIGNSA-N
XLogP18.33
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500876.14
LogP ≤ 518.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[3-[5-(2-dibenzofuran-4-ylethyl)-7-methyl-8-[(Z)-prop-1-enyl]naphthalen-1-yl]-5-dibenzothiophen-4-ylphenyl]-9-phenylcarbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-(2-dibenzofuran-4-ylethyl)-7-methyl-8-[(Z)-prop-1-enyl]naphthalen-1-yl]-5-dibenzothiophen-4-ylphenyl]-9-phenylcarbazole?
The IUPAC name of 4-[3-[5-(2-dibenzofuran-4-ylethyl)-7-methyl-8-[(Z)-prop-1-enyl]naphthalen-1-yl]-5-dibenzothiophen-4-ylphenyl]-9-phenylcarbazole (CID 129225547) is 4-[3-[5-(2-dibenzofuran-4-ylethyl)-7-methyl-8-[(Z)-prop-1-enyl]naphthalen-1-yl]-5-dibenzothiophen-4-ylphenyl]-9-phenylcarbazole.
What is the SMILES notation for 4-[3-[5-(2-dibenzofuran-4-ylethyl)-7-methyl-8-[(Z)-prop-1-enyl]naphthalen-1-yl]-5-dibenzothiophen-4-ylphenyl]-9-phenylcarbazole?
The canonical SMILES for 4-[3-[5-(2-dibenzofuran-4-ylethyl)-7-methyl-8-[(Z)-prop-1-enyl]naphthalen-1-yl]-5-dibenzothiophen-4-ylphenyl]-9-phenylcarbazole is C/C=C\c1c(C)cc(CCc2cccc3c2oc2ccccc23)c2cccc(-c3cc(-c4cccc5c4sc4ccccc45)cc(-c4cccc5c4c4ccccc4n5-c4ccccc4)c3)c12.
What is the InChIKey of 4-[3-[5-(2-dibenzofuran-4-ylethyl)-7-methyl-8-[(Z)-prop-1-enyl]naphthalen-1-yl]-5-dibenzothiophen-4-ylphenyl]-9-phenylcarbazole?
The InChIKey is XFUZXMXBQLPMSP-YPEHOIGNSA-N. The full InChI is InChI=1S/C64H45NOS/c1-3-17-47-40(2)36-42(35-34-41-18-13-28-54-52-21-8-11-32-59(52)66-63(41)54)48-24-14-25-49(61(47)48)43-37-44(39-45(38-43)51-27-15-29-55-53-22-9-12-33-60(53)67-64(51)55)50-26-16-31-58-62(50)56-23-7-10-30-57(56)65(58)46-19-5-4-6-20-46/h3-33,36-39H,34-35H2,1-2H3/b17-3-.
What are the key properties of 4-[3-[5-(2-dibenzofuran-4-ylethyl)-7-methyl-8-[(Z)-prop-1-enyl]naphthalen-1-yl]-5-dibenzothiophen-4-ylphenyl]-9-phenylcarbazole?
4-[3-[5-(2-dibenzofuran-4-ylethyl)-7-methyl-8-[(Z)-prop-1-enyl]naphthalen-1-yl]-5-dibenzothiophen-4-ylphenyl]-9-phenylcarbazole has a molecular weight of 876.14 g/mol, XLogP of 18.33, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[5-(2-dibenzofuran-4-ylethyl)-7-methyl-8-[(Z)-prop-1-enyl]naphthalen-1-yl]-5-dibenzothiophen-4-ylphenyl]-9-phenylcarbazole is sourced from PubChem (CID 129225547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).