N-[4-[9,9-dimethyl-10-(4-phenylphenyl)acridin-2-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline

C47H40N2 — CID 89457849

IUPACN-[4-[9,9-dimethyl-10-(4-phenylphenyl)acridin-2-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline
SMILESCc1cccc(N(c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3N4c3ccc(-c4ccccc4)cc3)cc2)c2cccc(C)c2)c1
InChIInChI=1S/C47H40N2/c1-33-12-10-16-41(30-33)48(42-17-11-13-34(2)31-42)39-25-22-37(23-26-39)38-24-29-46-44(32-38)47(3,4)43-18-8-9-19-45(43)49(46)40-27-20-36(21-28-40)35-14-6-5-7-15-35/h5-32H,1-4H3
InChIKeyWPXQYVVLLVUKNE-UHFFFAOYSA-N
MW632.85 g/mol
LogP13.22
Rot. Bonds6

About N-[4-[9,9-dimethyl-10-(4-phenylphenyl)acridin-2-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline

N-[4-[9,9-dimethyl-10-(4-phenylphenyl)acridin-2-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline (PubChem CID 89457849) has the molecular formula C47H40N2 and a molecular weight of 632.85 g/mol. Its IUPAC name is N-[4-[9,9-dimethyl-10-(4-phenylphenyl)acridin-2-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[9,9-dimethyl-10-(4-phenylphenyl)acridin-2-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline
PubChem CID89457849
Molecular FormulaC47H40N2
Molecular Weight632.85 g/mol
Exact Mass632.32
IUPAC NameN-[4-[9,9-dimethyl-10-(4-phenylphenyl)acridin-2-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline
SMILESCc1cccc(N(c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3N4c3ccc(-c4ccccc4)cc3)cc2)c2cccc(C)c2)c1
InChIInChI=1S/C47H40N2/c1-33-12-10-16-41(30-33)48(42-17-11-13-34(2)31-42)39-25-22-37(23-26-39)38-24-29-46-44(32-38)47(3,4)43-18-8-9-19-45(43)49(46)40-27-20-36(21-28-40)35-14-6-5-7-15-35/h5-32H,1-4H3
InChIKeyWPXQYVVLLVUKNE-UHFFFAOYSA-N
XLogP13.22
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.85
LogP ≤ 513.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(9,9-dimethyl-10-phenylacridin-3-yl)phenyl]-N,3-diphenylaniline
CID 121258973
7,9,9-trimethyl-N,10-diphenyl-N-(4-phenylphenyl)acridin-2-amine
CID 144559423
N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 58489884
4-(9,9-dimethyl-10-phenylacridin-3-yl)-N,N-diphenylaniline
CID 121258967
8,8,14,14-tetramethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
CID 70892954
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N,7,10-triphenylacridin-2-amine
CID 144559421
N-[4-[4-(N-(9,9-dimethyl-7,10-diphenylacridin-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N,7,10-triphenylacridin-2-amine;N-[4-[4-(N-[9,9-dimethyl-10-(4-methylphenyl)-7-phenylacridin-2-yl]anilino)phenyl]phenyl]-9,9-dimethyl-10-(4-methylphenyl)-N,7-diphenylacridin-2-amine;N-[4-[4-(N-(9,9-dimethyl-10-naphthalen-1-yl-7-phenylacridin-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-10-naphthalen-1-yl-N,7-diphenylacridin-2-amine;N-[4-[4-[(9,9-dimethyl-10-phenylacridin-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-yl-10-phenylacridin-2-amine;N-[4-[4-[[9,9-dimethyl-10-(4-phenylphenyl)acridin-2-yl]-naphthalen-1-ylamino]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-yl-10-(4-phenylphenyl)acridin-2-amine
CID 159235712
9,9-dimethyl-N-(3-methylphenyl)-7-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428426
3-(9,9-dimethyl-10-phenylacridin-3-yl)-N-(4-phenylphenyl)-N-(4-pyridin-2-ylphenyl)aniline
CID 121259013
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]fluoren-2-amine
CID 58489858
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(3-methylphenyl)-7-(4-phenylphenyl)fluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-methylphenyl)-7-(4-phenylphenyl)fluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-phenyl-7-(4-phenylphenyl)fluoren-2-amine
CID 162180969
N,N-bis(4-phenylphenyl)-3-(3,14,14-trimethyl-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-17-yl)aniline
CID 170656188

Frequently Asked Questions

What is the IUPAC name of N-[4-[9,9-dimethyl-10-(4-phenylphenyl)acridin-2-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline?
The IUPAC name of N-[4-[9,9-dimethyl-10-(4-phenylphenyl)acridin-2-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline (CID 89457849) is N-[4-[9,9-dimethyl-10-(4-phenylphenyl)acridin-2-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline.
What is the SMILES notation for N-[4-[9,9-dimethyl-10-(4-phenylphenyl)acridin-2-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline?
The canonical SMILES for N-[4-[9,9-dimethyl-10-(4-phenylphenyl)acridin-2-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline is Cc1cccc(N(c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3N4c3ccc(-c4ccccc4)cc3)cc2)c2cccc(C)c2)c1.
What is the InChIKey of N-[4-[9,9-dimethyl-10-(4-phenylphenyl)acridin-2-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline?
The InChIKey is WPXQYVVLLVUKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H40N2/c1-33-12-10-16-41(30-33)48(42-17-11-13-34(2)31-42)39-25-22-37(23-26-39)38-24-29-46-44(32-38)47(3,4)43-18-8-9-19-45(43)49(46)40-27-20-36(21-28-40)35-14-6-5-7-15-35/h5-32H,1-4H3.
What are the key properties of N-[4-[9,9-dimethyl-10-(4-phenylphenyl)acridin-2-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline?
N-[4-[9,9-dimethyl-10-(4-phenylphenyl)acridin-2-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline has a molecular weight of 632.85 g/mol, XLogP of 13.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[9,9-dimethyl-10-(4-phenylphenyl)acridin-2-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline is sourced from PubChem (CID 89457849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).