N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

C54H44N2 — CID 58489884

IUPACN-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4N5c4ccccc4)cc3)cc21
InChIInChI=1S/C54H44N2/c1-53(2)47-20-12-11-19-45(47)46-33-32-44(36-49(46)53)55(42-28-23-38(24-29-42)37-15-7-5-8-16-37)43-30-25-39(26-31-43)40-27-34-52-50(35-40)54(3,4)48-21-13-14-22-51(48)56(52)41-17-9-6-10-18-41/h5-36H,1-4H3
InChIKeyYYVDXCPWEITNGS-UHFFFAOYSA-N
MW720.96 g/mol
LogP14.91
Rot. Bonds6

About N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 58489884) has the molecular formula C54H44N2 and a molecular weight of 720.96 g/mol. Its IUPAC name is N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID58489884
Molecular FormulaC54H44N2
Molecular Weight720.96 g/mol
Exact Mass720.35
IUPAC NameN-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4N5c4ccccc4)cc3)cc21
InChIInChI=1S/C54H44N2/c1-53(2)47-20-12-11-19-45(47)46-33-32-44(36-49(46)53)55(42-28-23-38(24-29-42)37-15-7-5-8-16-37)43-30-25-39(26-31-43)40-27-34-52-50(35-40)54(3,4)48-21-13-14-22-51(48)56(52)41-17-9-6-10-18-41/h5-36H,1-4H3
InChIKeyYYVDXCPWEITNGS-UHFFFAOYSA-N
XLogP14.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.96
LogP ≤ 514.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N,7,10-triphenylacridin-2-amine
CID 144559421
9,9-dimethyl-N-[4-(10-phenylphenazin-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 90120877
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-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N,10-diphenylacridin-3-amine
CID 121258957
9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)phenyl]fluoren-2-amine;N,N-diphenyl-4-(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)aniline
CID 161259967
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)phenyl]fluoren-2-amine
CID 129062191
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
N-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-10-phenyl-N-(2-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 155240757
18-(9,9-dimethyl-10-phenylacridin-2-yl)-10,10,21,21-tetramethyl-14-phenyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
CID 118227857
N-[4-(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-17-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170657044
N-[4-[9,9-dimethyl-10-(4-phenylphenyl)acridin-2-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline
CID 89457849
10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylacridine
CID 155244755

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (CID 58489884) is N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4N5c4ccccc4)cc3)cc21.
What is the InChIKey of N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is YYVDXCPWEITNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H44N2/c1-53(2)47-20-12-11-19-45(47)46-33-32-44(36-49(46)53)55(42-28-23-38(24-29-42)37-15-7-5-8-16-37)43-30-25-39(26-31-43)40-27-34-52-50(35-40)54(3,4)48-21-13-14-22-51(48)56(52)41-17-9-6-10-18-41/h5-36H,1-4H3.
What are the key properties of N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 720.96 g/mol, XLogP of 14.91, 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-phenylacridin-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 58489884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).