N,N-bis[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]dibenzofuran-3-amine

C66H51N3O — CID 122425331

IUPACN,N-bis[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]dibenzofuran-3-amine
SMILESCC1(C)c2ccccc2N(c2cccc(-c3ccc(N(c4ccc(-c5cccc(N6c7ccccc7C(C)(C)c7ccccc76)c5)cc4)c4ccc5c(c4)oc4ccccc45)cc3)c2)c2ccccc21
InChIInChI=1S/C66H51N3O/c1-65(2)55-22-6-10-26-59(55)68(60-27-11-7-23-56(60)65)50-19-15-17-46(41-50)44-31-35-48(36-32-44)67(52-39-40-54-53-21-5-14-30-63(53)70-64(54)43-52)49-37-33-45(34-38-49)47-18-16-20-51(42-47)69-61-28-12-8-24-57(61)66(3,4)58-25-9-13-29-62(58)69/h5-43H,1-4H3
InChIKeyJOPYKNHVUQOYQW-UHFFFAOYSA-N
MW902.15 g/mol
LogP18.61
Rot. Bonds7

About N,N-bis[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]dibenzofuran-3-amine

N,N-bis[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]dibenzofuran-3-amine (PubChem CID 122425331) has the molecular formula C66H51N3O and a molecular weight of 902.15 g/mol. Its IUPAC name is N,N-bis[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN,N-bis[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]dibenzofuran-3-amine
PubChem CID122425331
Molecular FormulaC66H51N3O
Molecular Weight902.15 g/mol
Exact Mass901.40
IUPAC NameN,N-bis[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]dibenzofuran-3-amine
SMILESCC1(C)c2ccccc2N(c2cccc(-c3ccc(N(c4ccc(-c5cccc(N6c7ccccc7C(C)(C)c7ccccc76)c5)cc4)c4ccc5c(c4)oc4ccccc45)cc3)c2)c2ccccc21
InChIInChI=1S/C66H51N3O/c1-65(2)55-22-6-10-26-59(55)68(60-27-11-7-23-56(60)65)50-19-15-17-46(41-50)44-31-35-48(36-32-44)67(52-39-40-54-53-21-5-14-30-63(53)70-64(54)43-52)49-37-33-45(34-38-49)47-18-16-20-51(42-47)69-61-28-12-8-24-57(61)66(3,4)58-25-9-13-29-62(58)69/h5-43H,1-4H3
InChIKeyJOPYKNHVUQOYQW-UHFFFAOYSA-N
XLogP18.61
TPSA22.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500902.15
LogP ≤ 518.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-2-phenylacridine
CID 71003986
10-[3-[4-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenyl]acridin-9-one;10-[3-[4-(N-dibenzothiophen-3-yl-4-phenylanilino)phenyl]phenyl]acridin-9-one;N-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[4-(3-phenothiazin-10-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[4-(3-phenothiazin-10-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[4-(3-phenoxazin-10-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[4-(3-phenoxazin-10-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 161050395
N-[4-(9,9-dimethyl-10-phenylacridin-3-yl)phenyl]-N,3-diphenylaniline
CID 121258973
7-(21,21-dimethyl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-N-naphthalen-1-yl-N-phenylphenanthren-2-amine
CID 146213041
N-[4-[3-(4-phenylphenyl)phenyl]phenyl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 121311288
N-(4-phenylphenyl)-N-[4-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 160832647
N-[4-[4-(3-phenylphenyl)phenyl]phenyl]-N-[4-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 121311323
N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[4-[3-[4-[7-[4-(4-dibenzofuran-3-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 139504762
N-[4-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-N-dibenzofuran-3-yldibenzofuran-3-amine
CID 70808654
N-(4-phenylphenyl)-N-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 118924585
N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311330
7-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 67964420

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]dibenzofuran-3-amine?
The IUPAC name of N,N-bis[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]dibenzofuran-3-amine (CID 122425331) is N,N-bis[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N,N-bis[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]dibenzofuran-3-amine?
The canonical SMILES for N,N-bis[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]dibenzofuran-3-amine is CC1(C)c2ccccc2N(c2cccc(-c3ccc(N(c4ccc(-c5cccc(N6c7ccccc7C(C)(C)c7ccccc76)c5)cc4)c4ccc5c(c4)oc4ccccc45)cc3)c2)c2ccccc21.
What is the InChIKey of N,N-bis[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]dibenzofuran-3-amine?
The InChIKey is JOPYKNHVUQOYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H51N3O/c1-65(2)55-22-6-10-26-59(55)68(60-27-11-7-23-56(60)65)50-19-15-17-46(41-50)44-31-35-48(36-32-44)67(52-39-40-54-53-21-5-14-30-63(53)70-64(54)43-52)49-37-33-45(34-38-49)47-18-16-20-51(42-47)69-61-28-12-8-24-57(61)66(3,4)58-25-9-13-29-62(58)69/h5-43H,1-4H3.
What are the key properties of N,N-bis[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]dibenzofuran-3-amine?
N,N-bis[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]dibenzofuran-3-amine has a molecular weight of 902.15 g/mol, XLogP of 18.61, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 122425331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).