4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-3-amine

C63H42N2O2 — CID 176609471

IUPAC4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3cccc(-c4cccc5oc6ccccc6c45)c3)c3ccc4c(oc5ccccc54)c3-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c21
InChIInChI=1S/C63H42N2O2/c1-63(2)51-25-8-3-18-44(51)48-24-14-28-55(61(48)63)65(42-17-13-16-40(38-42)43-23-15-31-58-60(43)50-22-7-12-30-57(50)66-58)54-37-36-49-47-21-6-11-29-56(47)67-62(49)59(54)39-32-34-41(35-33-39)64-52-26-9-4-19-45(52)46-20-5-10-27-53(46)64/h3-38H,1-2H3
InChIKeyWEJQMNHCNAHCJE-UHFFFAOYSA-N
MW859.04 g/mol
LogP17.69
Rot. Bonds6

About 4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-3-amine

4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-3-amine (PubChem CID 176609471) has the molecular formula C63H42N2O2 and a molecular weight of 859.04 g/mol. Its IUPAC name is 4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-3-amine.

Molecular Properties

Compound Name4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-3-amine
PubChem CID176609471
Molecular FormulaC63H42N2O2
Molecular Weight859.04 g/mol
Exact Mass858.32
IUPAC Name4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3cccc(-c4cccc5oc6ccccc6c45)c3)c3ccc4c(oc5ccccc54)c3-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c21
InChIInChI=1S/C63H42N2O2/c1-63(2)51-25-8-3-18-44(51)48-24-14-28-55(61(48)63)65(42-17-13-16-40(38-42)43-23-15-31-58-60(43)50-22-7-12-30-57(50)66-58)54-37-36-49-47-21-6-11-29-56(47)67-62(49)59(54)39-32-34-41(35-33-39)64-52-26-9-4-19-45(52)46-20-5-10-27-53(46)64/h3-38H,1-2H3
InChIKeyWEJQMNHCNAHCJE-UHFFFAOYSA-N
XLogP17.69
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500859.04
LogP ≤ 517.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-3-amine
CID 176609885
4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine
CID 176608726
4-(4-carbazol-9-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 176609664
4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine
CID 176608424
4-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 176608690
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-4-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N-(9,9-dimethylfluoren-1-yl)-4-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine;N-(9,9-dimethylfluoren-4-yl)-4-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 164965639
N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)fluoren-1-amine
CID 174288542
N-[4-[1-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]-N-dibenzofuran-3-yldibenzofuran-3-amine
CID 176956264
N-(9,9-dimethylfluoren-1-yl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-1-amine
CID 139567813
N-(9,9-dimethylfluoren-1-yl)-8-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 138484695
4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine
CID 176607817
N-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenylcarbazol-2-amine
CID 170139036

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-3-amine?
The IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-3-amine (CID 176609471) is 4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-3-amine.
What is the SMILES notation for 4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-3-amine?
The canonical SMILES for 4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-3-amine is CC1(C)c2ccccc2-c2cccc(N(c3cccc(-c4cccc5oc6ccccc6c45)c3)c3ccc4c(oc5ccccc54)c3-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c21.
What is the InChIKey of 4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-3-amine?
The InChIKey is WEJQMNHCNAHCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N2O2/c1-63(2)51-25-8-3-18-44(51)48-24-14-28-55(61(48)63)65(42-17-13-16-40(38-42)43-23-15-31-58-60(43)50-22-7-12-30-57(50)66-58)54-37-36-49-47-21-6-11-29-56(47)67-62(49)59(54)39-32-34-41(35-33-39)64-52-26-9-4-19-45(52)46-20-5-10-27-53(46)64/h3-38H,1-2H3.
What are the key properties of 4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-3-amine?
4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-3-amine has a molecular weight of 859.04 g/mol, XLogP of 17.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-3-amine is sourced from PubChem (CID 176609471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).