N-(4-dibenzofuran-3-ylphenyl)-N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine

C84H59N3O — CID 58510897

IUPACN-(4-dibenzofuran-3-ylphenyl)-N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine
SMILESCC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc3-4)cc21
InChIInChI=1S/C84H59N3O/c1-83(2)73-47-55(53-32-43-79-71(45-53)67-21-11-14-24-77(67)86(79)58-17-7-5-8-18-58)29-38-63(73)65-41-36-61(50-75(65)83)85(60-34-27-52(28-35-60)57-31-40-70-69-23-13-16-26-81(69)88-82(70)49-57)62-37-42-66-64-39-30-56(48-74(64)84(3,4)76(66)51-62)54-33-44-80-72(46-54)68-22-12-15-25-78(68)87(80)59-19-9-6-10-20-59/h5-51H,1-4H3
InChIKeyRGLHSYYCVWATPY-UHFFFAOYSA-N
MW1126.42 g/mol
LogP22.86
Rot. Bonds8

About N-(4-dibenzofuran-3-ylphenyl)-N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine

N-(4-dibenzofuran-3-ylphenyl)-N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine (PubChem CID 58510897) has the molecular formula C84H59N3O and a molecular weight of 1126.42 g/mol. Its IUPAC name is N-(4-dibenzofuran-3-ylphenyl)-N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-3-ylphenyl)-N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine
PubChem CID58510897
Molecular FormulaC84H59N3O
Molecular Weight1126.42 g/mol
Exact Mass1125.47
IUPAC NameN-(4-dibenzofuran-3-ylphenyl)-N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine
SMILESCC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc3-4)cc21
InChIInChI=1S/C84H59N3O/c1-83(2)73-47-55(53-32-43-79-71(45-53)67-21-11-14-24-77(67)86(79)58-17-7-5-8-18-58)29-38-63(73)65-41-36-61(50-75(65)83)85(60-34-27-52(28-35-60)57-31-40-70-69-23-13-16-26-81(69)88-82(70)49-57)62-37-42-66-64-39-30-56(48-74(64)84(3,4)76(66)51-62)54-33-44-80-72(46-54)68-22-12-15-25-78(68)87(80)59-19-9-6-10-20-59/h5-51H,1-4H3
InChIKeyRGLHSYYCVWATPY-UHFFFAOYSA-N
XLogP22.86
TPSA26.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001126.42
LogP ≤ 522.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(4-dibenzofuran-3-ylphenyl)-N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine?
The IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine (CID 58510897) is N-(4-dibenzofuran-3-ylphenyl)-N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine.
What is the SMILES notation for N-(4-dibenzofuran-3-ylphenyl)-N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine?
The canonical SMILES for N-(4-dibenzofuran-3-ylphenyl)-N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine is CC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc3-4)cc21.
What is the InChIKey of N-(4-dibenzofuran-3-ylphenyl)-N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine?
The InChIKey is RGLHSYYCVWATPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H59N3O/c1-83(2)73-47-55(53-32-43-79-71(45-53)67-21-11-14-24-77(67)86(79)58-17-7-5-8-18-58)29-38-63(73)65-41-36-61(50-75(65)83)85(60-34-27-52(28-35-60)57-31-40-70-69-23-13-16-26-81(69)88-82(70)49-57)62-37-42-66-64-39-30-56(48-74(64)84(3,4)76(66)51-62)54-33-44-80-72(46-54)68-22-12-15-25-78(68)87(80)59-19-9-6-10-20-59/h5-51H,1-4H3.
What are the key properties of N-(4-dibenzofuran-3-ylphenyl)-N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine?
N-(4-dibenzofuran-3-ylphenyl)-N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine has a molecular weight of 1126.42 g/mol, XLogP of 22.86, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-3-ylphenyl)-N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine is sourced from PubChem (CID 58510897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).