N-(4-dibenzofuran-4-ylphenyl)-N-[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-4-yl]-8-(9-phenylcarbazol-2-yl)dibenzofuran-1-amine

C64H46N2O2 — CID 166997237

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-4-yl]-8-(9-phenylcarbazol-2-yl)dibenzofuran-1-amine
SMILESC=CC1=C(/C=C\C)c2c(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc4oc5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc5c34)cccc2C1(C)C
InChIInChI=1S/C64H46N2O2/c1-5-17-50-52(6-2)64(3,4)53-24-15-26-55(61(50)53)66(44-34-30-40(31-35-44)45-22-14-23-49-48-21-11-13-28-58(48)68-63(45)49)56-27-16-29-60-62(56)51-38-41(33-37-59(51)67-60)42-32-36-47-46-20-10-12-25-54(46)65(57(47)39-42)43-18-8-7-9-19-43/h5-39H,2H2,1,3-4H3/b17-5-
InChIKeyZHQIZBQBTFDSPT-ZWSORDCHSA-N
MW875.08 g/mol
LogP18.19
Rot. Bonds8

About N-(4-dibenzofuran-4-ylphenyl)-N-[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-4-yl]-8-(9-phenylcarbazol-2-yl)dibenzofuran-1-amine

N-(4-dibenzofuran-4-ylphenyl)-N-[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-4-yl]-8-(9-phenylcarbazol-2-yl)dibenzofuran-1-amine (PubChem CID 166997237) has the molecular formula C64H46N2O2 and a molecular weight of 875.08 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-4-yl]-8-(9-phenylcarbazol-2-yl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-4-yl]-8-(9-phenylcarbazol-2-yl)dibenzofuran-1-amine
PubChem CID166997237
Molecular FormulaC64H46N2O2
Molecular Weight875.08 g/mol
Exact Mass874.36
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-4-yl]-8-(9-phenylcarbazol-2-yl)dibenzofuran-1-amine
SMILESC=CC1=C(/C=C\C)c2c(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc4oc5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc5c34)cccc2C1(C)C
InChIInChI=1S/C64H46N2O2/c1-5-17-50-52(6-2)64(3,4)53-24-15-26-55(61(50)53)66(44-34-30-40(31-35-44)45-22-14-23-49-48-21-11-13-28-58(48)68-63(45)49)56-27-16-29-60-62(56)51-38-41(33-37-59(51)67-60)42-32-36-47-46-20-10-12-25-54(46)65(57(47)39-42)43-18-8-7-9-19-43/h5-39H,2H2,1,3-4H3/b17-5-
InChIKeyZHQIZBQBTFDSPT-ZWSORDCHSA-N
XLogP18.19
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500875.08
LogP ≤ 518.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-[2-ethenyl-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]-8-[9-(4-phenylphenyl)carbazol-3-yl]dibenzofuran-1-amine
CID 153368992
N-dibenzofuran-3-yl-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-6-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N-(9,9-dimethylfluoren-4-yl)-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 165012429
N-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine
CID 138577267
N-(9,9-dimethylfluoren-1-yl)-8-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 138484695
N-(9,9-dimethylfluoren-4-yl)-N-[4-[8-[9,9-dimethyl-7-[N-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-4-(4-phenylphenyl)anilino]fluoren-3-yl]dibenzofuran-4-yl]phenyl]-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine
CID 167095022
4-[3-[3-[9-(4-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-4-yl)anilino)dibenzofuran-2-yl]carbazol-9-yl]phenyl]-N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 155120194
N-(9,9-dimethylfluoren-4-yl)-N-(4-methylphenyl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine
CID 138484965
N-[4-[5-(4-dibenzofuran-4-ylphenyl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 126702847
N,N-di(dibenzofuran-1-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 165103115
N-dibenzofuran-2-yl-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine;N-(9,9-dimethylfluoren-2-yl)-2-phenyl-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 164949538
N-(4-dibenzofuran-4-ylphenyl)-N-[3-ethenyl-1,1-dimethyl-2-[(Z)-prop-1-enyl]inden-4-yl]-9,9'-spirobi[fluorene]-2-amine
CID 167119017
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-6-phenylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine
CID 138577371

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-4-yl]-8-(9-phenylcarbazol-2-yl)dibenzofuran-1-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-4-yl]-8-(9-phenylcarbazol-2-yl)dibenzofuran-1-amine (CID 166997237) is N-(4-dibenzofuran-4-ylphenyl)-N-[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-4-yl]-8-(9-phenylcarbazol-2-yl)dibenzofuran-1-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-4-yl]-8-(9-phenylcarbazol-2-yl)dibenzofuran-1-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-4-yl]-8-(9-phenylcarbazol-2-yl)dibenzofuran-1-amine is C=CC1=C(/C=C\C)c2c(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc4oc5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc5c34)cccc2C1(C)C.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-4-yl]-8-(9-phenylcarbazol-2-yl)dibenzofuran-1-amine?
The InChIKey is ZHQIZBQBTFDSPT-ZWSORDCHSA-N. The full InChI is InChI=1S/C64H46N2O2/c1-5-17-50-52(6-2)64(3,4)53-24-15-26-55(61(50)53)66(44-34-30-40(31-35-44)45-22-14-23-49-48-21-11-13-28-58(48)68-63(45)49)56-27-16-29-60-62(56)51-38-41(33-37-59(51)67-60)42-32-36-47-46-20-10-12-25-54(46)65(57(47)39-42)43-18-8-7-9-19-43/h5-39H,2H2,1,3-4H3/b17-5-.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-4-yl]-8-(9-phenylcarbazol-2-yl)dibenzofuran-1-amine?
N-(4-dibenzofuran-4-ylphenyl)-N-[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-4-yl]-8-(9-phenylcarbazol-2-yl)dibenzofuran-1-amine has a molecular weight of 875.08 g/mol, XLogP of 18.19, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-N-[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-4-yl]-8-(9-phenylcarbazol-2-yl)dibenzofuran-1-amine is sourced from PubChem (CID 166997237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).