4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-3-amine

C63H42N2O2 — CID 176609885

IUPAC4-(2-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-c3ccccc3-n3c4ccccc4c4ccccc43)c21
InChIInChI=1S/C63H42N2O2/c1-63(2)50-28-9-3-20-42(50)46-27-16-32-55(61(46)63)64(40-19-15-18-39(38-40)41-26-17-35-58-59(41)49-25-8-14-34-57(49)66-58)54-37-36-47-45-23-7-13-33-56(45)67-62(47)60(54)48-24-6-12-31-53(48)65-51-29-10-4-21-43(51)44-22-5-11-30-52(44)65/h3-38H,1-2H3
InChIKeyVMPKGGYAUQGXKI-UHFFFAOYSA-N
MW859.04 g/mol
LogP17.69
Rot. Bonds6

About 4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-3-amine

4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-3-amine (PubChem CID 176609885) has the molecular formula C63H42N2O2 and a molecular weight of 859.04 g/mol. Its IUPAC name is 4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-3-amine.

Molecular Properties

Compound Name4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-3-amine
PubChem CID176609885
Molecular FormulaC63H42N2O2
Molecular Weight859.04 g/mol
Exact Mass858.32
IUPAC Name4-(2-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-c3ccccc3-n3c4ccccc4c4ccccc43)c21
InChIInChI=1S/C63H42N2O2/c1-63(2)50-28-9-3-20-42(50)46-27-16-32-55(61(46)63)64(40-19-15-18-39(38-40)41-26-17-35-58-59(41)49-25-8-14-34-57(49)66-58)54-37-36-47-45-23-7-13-33-56(45)67-62(47)60(54)48-24-6-12-31-53(48)65-51-29-10-4-21-43(51)44-22-5-11-30-52(44)65/h3-38H,1-2H3
InChIKeyVMPKGGYAUQGXKI-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-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-3-amine
CID 176609471
4-(2-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
CID 176608294
4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine
CID 176609179
4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine
CID 176608726
4-(2-carbazol-9-ylphenyl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176609274
4-(4-carbazol-9-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 176609664
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
15-(2-carbazol-9-ylphenyl)-12,18-bis(N-(9,9-dimethylfluoren-1-yl)anilino)-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-ol
CID 138735296
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-4-ylphenyl)-2-(2-phenylphenyl)aniline
CID 139544519
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 168790978
N-[4-(2-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-1-amine
CID 168789356
4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-2-amine
CID 176608195

Frequently Asked Questions

What is the IUPAC name of 4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-3-amine?
The IUPAC name of 4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-3-amine (CID 176609885) is 4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-3-amine.
What is the SMILES notation for 4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-3-amine?
The canonical SMILES for 4-(2-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-c3ccccc3-n3c4ccccc4c4ccccc43)c21.
What is the InChIKey of 4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-3-amine?
The InChIKey is VMPKGGYAUQGXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N2O2/c1-63(2)50-28-9-3-20-42(50)46-27-16-32-55(61(46)63)64(40-19-15-18-39(38-40)41-26-17-35-58-59(41)49-25-8-14-34-57(49)66-58)54-37-36-47-45-23-7-13-33-56(45)67-62(47)60(54)48-24-6-12-31-53(48)65-51-29-10-4-21-43(51)44-22-5-11-30-52(44)65/h3-38H,1-2H3.
What are the key properties of 4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-3-amine?
4-(2-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-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-3-amine is sourced from PubChem (CID 176609885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).