6-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-4,8-bis[2-(4-methylphenyl)ethyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-2-amine

C82H60N2OS — CID 58113333

IUPAC6-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-4,8-bis[2-(4-methylphenyl)ethyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-2-amine
SMILESCc1ccc(CCc2cc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc3c(CCc4ccc(C)cc4)cc(-c4ccc5oc6ccccc6c5c4)cc23)cc1
InChIInChI=1S/C82H60N2OS/c1-53-20-24-55(25-21-53)28-30-62-46-64(61-37-44-80-75(49-61)70-15-7-10-18-79(70)85-80)51-72-63(31-29-56-26-22-54(2)23-27-56)47-68(52-73(62)72)83(67-41-34-58(35-42-67)60-38-45-82-76(50-60)71-16-8-11-19-81(71)86-82)66-39-32-57(33-40-66)59-36-43-78-74(48-59)69-14-6-9-17-77(69)84(78)65-12-4-3-5-13-65/h3-27,32-52H,28-31H2,1-2H3
InChIKeyDYDSLWCIDGQENJ-UHFFFAOYSA-N
MW1121.46 g/mol
LogP22.86
Rot. Bonds13

About 6-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-4,8-bis[2-(4-methylphenyl)ethyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-2-amine

6-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-4,8-bis[2-(4-methylphenyl)ethyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-2-amine (PubChem CID 58113333) has the molecular formula C82H60N2OS and a molecular weight of 1121.46 g/mol. Its IUPAC name is 6-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-4,8-bis[2-(4-methylphenyl)ethyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-2-amine.

Molecular Properties

Compound Name6-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-4,8-bis[2-(4-methylphenyl)ethyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-2-amine
PubChem CID58113333
Molecular FormulaC82H60N2OS
Molecular Weight1121.46 g/mol
Exact Mass1120.44
IUPAC Name6-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-4,8-bis[2-(4-methylphenyl)ethyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-2-amine
SMILESCc1ccc(CCc2cc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc3c(CCc4ccc(C)cc4)cc(-c4ccc5oc6ccccc6c5c4)cc23)cc1
InChIInChI=1S/C82H60N2OS/c1-53-20-24-55(25-21-53)28-30-62-46-64(61-37-44-80-75(49-61)70-15-7-10-18-79(70)85-80)51-72-63(31-29-56-26-22-54(2)23-27-56)47-68(52-73(62)72)83(67-41-34-58(35-42-67)60-38-45-82-76(50-60)71-16-8-11-19-81(71)86-82)66-39-32-57(33-40-66)59-36-43-78-74(48-59)69-14-6-9-17-77(69)84(78)65-12-4-3-5-13-65/h3-27,32-52H,28-31H2,1-2H3
InChIKeyDYDSLWCIDGQENJ-UHFFFAOYSA-N
XLogP22.86
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001121.46
LogP ≤ 522.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-4,8-bis[2-(4-methylphenyl)ethyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-4,8-bis[2-(4-methylphenyl)ethyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-2-amine?
The IUPAC name of 6-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-4,8-bis[2-(4-methylphenyl)ethyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-2-amine (CID 58113333) is 6-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-4,8-bis[2-(4-methylphenyl)ethyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-2-amine.
What is the SMILES notation for 6-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-4,8-bis[2-(4-methylphenyl)ethyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-2-amine?
The canonical SMILES for 6-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-4,8-bis[2-(4-methylphenyl)ethyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-2-amine is Cc1ccc(CCc2cc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc3c(CCc4ccc(C)cc4)cc(-c4ccc5oc6ccccc6c5c4)cc23)cc1.
What is the InChIKey of 6-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-4,8-bis[2-(4-methylphenyl)ethyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-2-amine?
The InChIKey is DYDSLWCIDGQENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H60N2OS/c1-53-20-24-55(25-21-53)28-30-62-46-64(61-37-44-80-75(49-61)70-15-7-10-18-79(70)85-80)51-72-63(31-29-56-26-22-54(2)23-27-56)47-68(52-73(62)72)83(67-41-34-58(35-42-67)60-38-45-82-76(50-60)71-16-8-11-19-81(71)86-82)66-39-32-57(33-40-66)59-36-43-78-74(48-59)69-14-6-9-17-77(69)84(78)65-12-4-3-5-13-65/h3-27,32-52H,28-31H2,1-2H3.
What are the key properties of 6-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-4,8-bis[2-(4-methylphenyl)ethyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-2-amine?
6-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-4,8-bis[2-(4-methylphenyl)ethyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-2-amine has a molecular weight of 1121.46 g/mol, XLogP of 22.86, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-4,8-bis[2-(4-methylphenyl)ethyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-2-amine is sourced from PubChem (CID 58113333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).