4-N-[4-[4-(N-(9,9-dimethyl-10-phenylacridin-2-yl)anilino)phenyl]phenyl]-2-ethyl-1-N-methyl-4-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine

C64H54N4 — CID 123562575

IUPAC4-N-[4-[4-(N-(9,9-dimethyl-10-phenylacridin-2-yl)anilino)phenyl]phenyl]-2-ethyl-1-N-methyl-4-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine
SMILESCCc1cc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4ccccc4N5c4ccccc4)cc3)cc2)c2ccc3ccccc3c2)ccc1N(C)c1ccccc1
InChIInChI=1S/C64H54N4/c1-5-46-43-57(39-41-61(46)65(4)51-21-9-6-10-22-51)67(56-38-33-47-19-15-16-20-50(47)44-56)55-36-31-49(32-37-55)48-29-34-54(35-30-48)66(52-23-11-7-12-24-52)58-40-42-63-60(45-58)64(2,3)59-27-17-18-28-62(59)68(63)53-25-13-8-14-26-53/h6-45H,5H2,1-4H3
InChIKeyICBBWRMKFXWXFE-UHFFFAOYSA-N
MW879.16 g/mol
LogP17.89
Rot. Bonds11

About 4-N-[4-[4-(N-(9,9-dimethyl-10-phenylacridin-2-yl)anilino)phenyl]phenyl]-2-ethyl-1-N-methyl-4-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine

4-N-[4-[4-(N-(9,9-dimethyl-10-phenylacridin-2-yl)anilino)phenyl]phenyl]-2-ethyl-1-N-methyl-4-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine (PubChem CID 123562575) has the molecular formula C64H54N4 and a molecular weight of 879.16 g/mol. Its IUPAC name is 4-N-[4-[4-(N-(9,9-dimethyl-10-phenylacridin-2-yl)anilino)phenyl]phenyl]-2-ethyl-1-N-methyl-4-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-[4-(N-(9,9-dimethyl-10-phenylacridin-2-yl)anilino)phenyl]phenyl]-2-ethyl-1-N-methyl-4-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine
PubChem CID123562575
Molecular FormulaC64H54N4
Molecular Weight879.16 g/mol
Exact Mass878.43
IUPAC Name4-N-[4-[4-(N-(9,9-dimethyl-10-phenylacridin-2-yl)anilino)phenyl]phenyl]-2-ethyl-1-N-methyl-4-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine
SMILESCCc1cc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4ccccc4N5c4ccccc4)cc3)cc2)c2ccc3ccccc3c2)ccc1N(C)c1ccccc1
InChIInChI=1S/C64H54N4/c1-5-46-43-57(39-41-61(46)65(4)51-21-9-6-10-22-51)67(56-38-33-47-19-15-16-20-50(47)44-56)55-36-31-49(32-37-55)48-29-34-54(35-30-48)66(52-23-11-7-12-24-52)58-40-42-63-60(45-58)64(2,3)59-27-17-18-28-62(59)68(63)53-25-13-8-14-26-53/h6-45H,5H2,1-4H3
InChIKeyICBBWRMKFXWXFE-UHFFFAOYSA-N
XLogP17.89
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.16
LogP ≤ 517.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
7,9,9-trimethyl-N,10-diphenyl-N-(4-phenylphenyl)acridin-2-amine
CID 144559423
4-(9,9-dimethyl-10-phenylacridin-3-yl)-N,N-diphenylaniline
CID 121258967
9,9-dimethyl-N-naphthalen-2-yl-10-phenyl-7-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)acridin-2-amine
CID 167214913
4-(9,9-dimethyl-7-phenanthren-3-yl-10-phenylacridin-2-yl)-N,N-diphenylaniline
CID 118122536
N-[4-(9,9-dimethyl-10-phenylacridin-3-yl)phenyl]-N,3-diphenylaniline
CID 121258973
N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 58489884
N-[4-[(E)-2-[4-(N-(9,9-dimethyl-10-phenylacridin-2-yl)anilino)phenyl]-1,2-diphenylethenyl]phenyl]-9,9-dimethyl-N,10-diphenylacridin-2-amine
CID 90268451
8,8,14,14-tetramethyl-N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-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 70892813
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N,7,10-triphenylacridin-2-amine
CID 144559421
N-[4-[9,9-dimethyl-10-(4-phenylphenyl)acridin-2-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline
CID 89457849
N-[4-[2-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[2-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[2-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 159972632

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[4-(N-(9,9-dimethyl-10-phenylacridin-2-yl)anilino)phenyl]phenyl]-2-ethyl-1-N-methyl-4-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine?
The IUPAC name of 4-N-[4-[4-(N-(9,9-dimethyl-10-phenylacridin-2-yl)anilino)phenyl]phenyl]-2-ethyl-1-N-methyl-4-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine (CID 123562575) is 4-N-[4-[4-(N-(9,9-dimethyl-10-phenylacridin-2-yl)anilino)phenyl]phenyl]-2-ethyl-1-N-methyl-4-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-[4-[4-(N-(9,9-dimethyl-10-phenylacridin-2-yl)anilino)phenyl]phenyl]-2-ethyl-1-N-methyl-4-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-[4-[4-(N-(9,9-dimethyl-10-phenylacridin-2-yl)anilino)phenyl]phenyl]-2-ethyl-1-N-methyl-4-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine is CCc1cc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4ccccc4N5c4ccccc4)cc3)cc2)c2ccc3ccccc3c2)ccc1N(C)c1ccccc1.
What is the InChIKey of 4-N-[4-[4-(N-(9,9-dimethyl-10-phenylacridin-2-yl)anilino)phenyl]phenyl]-2-ethyl-1-N-methyl-4-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine?
The InChIKey is ICBBWRMKFXWXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H54N4/c1-5-46-43-57(39-41-61(46)65(4)51-21-9-6-10-22-51)67(56-38-33-47-19-15-16-20-50(47)44-56)55-36-31-49(32-37-55)48-29-34-54(35-30-48)66(52-23-11-7-12-24-52)58-40-42-63-60(45-58)64(2,3)59-27-17-18-28-62(59)68(63)53-25-13-8-14-26-53/h6-45H,5H2,1-4H3.
What are the key properties of 4-N-[4-[4-(N-(9,9-dimethyl-10-phenylacridin-2-yl)anilino)phenyl]phenyl]-2-ethyl-1-N-methyl-4-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine?
4-N-[4-[4-(N-(9,9-dimethyl-10-phenylacridin-2-yl)anilino)phenyl]phenyl]-2-ethyl-1-N-methyl-4-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine has a molecular weight of 879.16 g/mol, XLogP of 17.89, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-[4-(N-(9,9-dimethyl-10-phenylacridin-2-yl)anilino)phenyl]phenyl]-2-ethyl-1-N-methyl-4-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 123562575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).