3-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-5,5,8,8-tetramethyl-N-(4-phenylphenyl)-6,7-dihydronaphthalen-2-amine

C53H50N2 — CID 167133338

IUPAC3-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-5,5,8,8-tetramethyl-N-(4-phenylphenyl)-6,7-dihydronaphthalen-2-amine
SMILESCC1(C)CCC(C)(C)c2cc(-c3cc(-c4ccccc4)cc(N4c5ccccc5C(C)(C)c5ccccc54)c3)c(Nc3ccc(-c4ccccc4)cc3)cc21
InChIInChI=1S/C53H50N2/c1-51(2)29-30-52(3,4)47-35-48(54-41-27-25-38(26-28-41)36-17-9-7-10-18-36)43(34-46(47)51)40-31-39(37-19-11-8-12-20-37)32-42(33-40)55-49-23-15-13-21-44(49)53(5,6)45-22-14-16-24-50(45)55/h7-28,31-35,54H,29-30H2,1-6H3
InChIKeyMVLCWEXAEWZZOS-UHFFFAOYSA-N
MW715.00 g/mol
LogP14.89
Rot. Bonds6

About 3-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-5,5,8,8-tetramethyl-N-(4-phenylphenyl)-6,7-dihydronaphthalen-2-amine

3-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-5,5,8,8-tetramethyl-N-(4-phenylphenyl)-6,7-dihydronaphthalen-2-amine (PubChem CID 167133338) has the molecular formula C53H50N2 and a molecular weight of 715.00 g/mol. Its IUPAC name is 3-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-5,5,8,8-tetramethyl-N-(4-phenylphenyl)-6,7-dihydronaphthalen-2-amine.

Molecular Properties

Compound Name3-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-5,5,8,8-tetramethyl-N-(4-phenylphenyl)-6,7-dihydronaphthalen-2-amine
PubChem CID167133338
Molecular FormulaC53H50N2
Molecular Weight715.00 g/mol
Exact Mass714.40
IUPAC Name3-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-5,5,8,8-tetramethyl-N-(4-phenylphenyl)-6,7-dihydronaphthalen-2-amine
SMILESCC1(C)CCC(C)(C)c2cc(-c3cc(-c4ccccc4)cc(N4c5ccccc5C(C)(C)c5ccccc54)c3)c(Nc3ccc(-c4ccccc4)cc3)cc21
InChIInChI=1S/C53H50N2/c1-51(2)29-30-52(3,4)47-35-48(54-41-27-25-38(26-28-41)36-17-9-7-10-18-36)43(34-46(47)51)40-31-39(37-19-11-8-12-20-37)32-42(33-40)55-49-23-15-13-21-44(49)53(5,6)45-22-14-16-24-50(45)55/h7-28,31-35,54H,29-30H2,1-6H3
InChIKeyMVLCWEXAEWZZOS-UHFFFAOYSA-N
XLogP14.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.00
LogP ≤ 514.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,5,8,8-tetramethyl-N,3-diphenyl-6,7-dihydronaphthalen-2-amine
CID 163300047
10-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-9,9-dimethylacridine
CID 59399603
N-(4-phenylphenyl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170449602
CID 174014927
CID 174014927
5,5,8,8-tetramethyl-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydronaphthalen-2-amine
CID 174330207
10-[3-(9,9-dimethylacridin-10-yl)-5-(3-triphenylen-2-ylphenyl)phenyl]-9,9-dimethylacridine
CID 59399549
10-[3-(9,9-dimethylacridin-10-yl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528452
N-(4-tert-butylphenyl)-3-[12,12-dimethyl-3-phenyl-5-(2-phenylphenyl)-13H-indeno[2,1-a]acridin-1-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine
CID 170250351
10-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethylacridine;9-[3-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]carbazole;10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine;9-[4-(3,5-diphenylphenyl)phenyl]carbazole
CID 160816832
N-(4-phenylphenyl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170449621
CID 174016202
CID 174016202
3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine
CID 58489784

Frequently Asked Questions

What is the IUPAC name of 3-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-5,5,8,8-tetramethyl-N-(4-phenylphenyl)-6,7-dihydronaphthalen-2-amine?
The IUPAC name of 3-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-5,5,8,8-tetramethyl-N-(4-phenylphenyl)-6,7-dihydronaphthalen-2-amine (CID 167133338) is 3-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-5,5,8,8-tetramethyl-N-(4-phenylphenyl)-6,7-dihydronaphthalen-2-amine.
What is the SMILES notation for 3-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-5,5,8,8-tetramethyl-N-(4-phenylphenyl)-6,7-dihydronaphthalen-2-amine?
The canonical SMILES for 3-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-5,5,8,8-tetramethyl-N-(4-phenylphenyl)-6,7-dihydronaphthalen-2-amine is CC1(C)CCC(C)(C)c2cc(-c3cc(-c4ccccc4)cc(N4c5ccccc5C(C)(C)c5ccccc54)c3)c(Nc3ccc(-c4ccccc4)cc3)cc21.
What is the InChIKey of 3-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-5,5,8,8-tetramethyl-N-(4-phenylphenyl)-6,7-dihydronaphthalen-2-amine?
The InChIKey is MVLCWEXAEWZZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H50N2/c1-51(2)29-30-52(3,4)47-35-48(54-41-27-25-38(26-28-41)36-17-9-7-10-18-36)43(34-46(47)51)40-31-39(37-19-11-8-12-20-37)32-42(33-40)55-49-23-15-13-21-44(49)53(5,6)45-22-14-16-24-50(45)55/h7-28,31-35,54H,29-30H2,1-6H3.
What are the key properties of 3-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-5,5,8,8-tetramethyl-N-(4-phenylphenyl)-6,7-dihydronaphthalen-2-amine?
3-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-5,5,8,8-tetramethyl-N-(4-phenylphenyl)-6,7-dihydronaphthalen-2-amine has a molecular weight of 715.00 g/mol, XLogP of 14.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-5,5,8,8-tetramethyl-N-(4-phenylphenyl)-6,7-dihydronaphthalen-2-amine is sourced from PubChem (CID 167133338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).