3-(9,9-dimethyl-10-phenylacridin-3-yl)-N-(4-phenylphenyl)-N-(4-pyridin-2-ylphenyl)aniline

C50H39N3 — CID 121259013

IUPAC3-(9,9-dimethyl-10-phenylacridin-3-yl)-N-(4-phenylphenyl)-N-(4-pyridin-2-ylphenyl)aniline
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2cc(-c3cccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccn5)cc4)c3)ccc21
InChIInChI=1S/C50H39N3/c1-50(2)45-20-9-10-22-48(45)53(41-17-7-4-8-18-41)49-35-40(27-32-46(49)50)39-16-13-19-44(34-39)52(42-28-23-37(24-29-42)36-14-5-3-6-15-36)43-30-25-38(26-31-43)47-21-11-12-33-51-47/h3-35H,1-2H3
InChIKeyVFKHAVWEHBWTOJ-UHFFFAOYSA-N
MW681.88 g/mol
LogP13.66
Rot. Bonds7

About 3-(9,9-dimethyl-10-phenylacridin-3-yl)-N-(4-phenylphenyl)-N-(4-pyridin-2-ylphenyl)aniline

3-(9,9-dimethyl-10-phenylacridin-3-yl)-N-(4-phenylphenyl)-N-(4-pyridin-2-ylphenyl)aniline (PubChem CID 121259013) has the molecular formula C50H39N3 and a molecular weight of 681.88 g/mol. Its IUPAC name is 3-(9,9-dimethyl-10-phenylacridin-3-yl)-N-(4-phenylphenyl)-N-(4-pyridin-2-ylphenyl)aniline.

Molecular Properties

Compound Name3-(9,9-dimethyl-10-phenylacridin-3-yl)-N-(4-phenylphenyl)-N-(4-pyridin-2-ylphenyl)aniline
PubChem CID121259013
Molecular FormulaC50H39N3
Molecular Weight681.88 g/mol
Exact Mass681.31
IUPAC Name3-(9,9-dimethyl-10-phenylacridin-3-yl)-N-(4-phenylphenyl)-N-(4-pyridin-2-ylphenyl)aniline
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2cc(-c3cccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccn5)cc4)c3)ccc21
InChIInChI=1S/C50H39N3/c1-50(2)45-20-9-10-22-48(45)53(41-17-7-4-8-18-41)49-35-40(27-32-46(49)50)39-16-13-19-44(34-39)52(42-28-23-37(24-29-42)36-14-5-3-6-15-36)43-30-25-38(26-31-43)47-21-11-12-33-51-47/h3-35H,1-2H3
InChIKeyVFKHAVWEHBWTOJ-UHFFFAOYSA-N
XLogP13.66
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.88
LogP ≤ 513.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(9,9-dimethyl-10-phenylacridin-3-yl)phenyl]-N,3-diphenylaniline
CID 121258973
4-(9,9-dimethyl-10-phenylacridin-3-yl)-N,N-diphenylaniline
CID 121258967
9,9,10-triphenyl-N-(4-phenylphenyl)-N-(4-pyridin-2-ylphenyl)acridin-3-amine
CID 121259026
N-[4-[9,9-dimethyl-10-(4-phenylphenyl)acridin-2-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline
CID 89457849
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(9,9,10-triphenylacridin-3-yl)phenyl]fluoren-2-amine;9-phenyl-N-(4-phenylphenyl)-N-[3-(9,9,10-triphenylacridin-3-yl)phenyl]carbazol-3-amine;N-(4-phenylphenyl)-N-(4-pyridin-2-ylphenyl)-3-(9,9,10-triphenylacridin-3-yl)aniline;N-(4-phenylphenyl)-N-(4-pyridin-3-ylphenyl)-3-(9,9,10-triphenylacridin-3-yl)aniline
CID 160790568
3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine
CID 58489784
N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 58489884
8,8,13,13-tetramethyl-5-phenyl-3-(3-pyridin-2-ylphenyl)indeno[1,2-a]acridine
CID 118668352
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N,7,10-triphenylacridin-2-amine
CID 144559421
7,9,9-trimethyl-N,10-diphenyl-N-(4-phenylphenyl)acridin-2-amine
CID 144559423
3-[3-(14,14-dimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-18-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 170657015
N,4-diphenyl-N-[4-(9,9,10-triphenylacridin-3-yl)phenyl]aniline
CID 121259178

Frequently Asked Questions

What is the IUPAC name of 3-(9,9-dimethyl-10-phenylacridin-3-yl)-N-(4-phenylphenyl)-N-(4-pyridin-2-ylphenyl)aniline?
The IUPAC name of 3-(9,9-dimethyl-10-phenylacridin-3-yl)-N-(4-phenylphenyl)-N-(4-pyridin-2-ylphenyl)aniline (CID 121259013) is 3-(9,9-dimethyl-10-phenylacridin-3-yl)-N-(4-phenylphenyl)-N-(4-pyridin-2-ylphenyl)aniline.
What is the SMILES notation for 3-(9,9-dimethyl-10-phenylacridin-3-yl)-N-(4-phenylphenyl)-N-(4-pyridin-2-ylphenyl)aniline?
The canonical SMILES for 3-(9,9-dimethyl-10-phenylacridin-3-yl)-N-(4-phenylphenyl)-N-(4-pyridin-2-ylphenyl)aniline is CC1(C)c2ccccc2N(c2ccccc2)c2cc(-c3cccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccn5)cc4)c3)ccc21.
What is the InChIKey of 3-(9,9-dimethyl-10-phenylacridin-3-yl)-N-(4-phenylphenyl)-N-(4-pyridin-2-ylphenyl)aniline?
The InChIKey is VFKHAVWEHBWTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H39N3/c1-50(2)45-20-9-10-22-48(45)53(41-17-7-4-8-18-41)49-35-40(27-32-46(49)50)39-16-13-19-44(34-39)52(42-28-23-37(24-29-42)36-14-5-3-6-15-36)43-30-25-38(26-31-43)47-21-11-12-33-51-47/h3-35H,1-2H3.
What are the key properties of 3-(9,9-dimethyl-10-phenylacridin-3-yl)-N-(4-phenylphenyl)-N-(4-pyridin-2-ylphenyl)aniline?
3-(9,9-dimethyl-10-phenylacridin-3-yl)-N-(4-phenylphenyl)-N-(4-pyridin-2-ylphenyl)aniline has a molecular weight of 681.88 g/mol, XLogP of 13.66, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,9-dimethyl-10-phenylacridin-3-yl)-N-(4-phenylphenyl)-N-(4-pyridin-2-ylphenyl)aniline is sourced from PubChem (CID 121259013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).