2-N-cyclohexa-1,5-dien-1-yl-9,9-dimethyl-2-N,7-N,7-N-triphenyl-9a,10-dihydro-4aH-acridine-2,7-diamine

C39H37N3 — CID 156533410

IUPAC2-N-cyclohexa-1,5-dien-1-yl-9,9-dimethyl-2-N,7-N,7-N-triphenyl-9a,10-dihydro-4aH-acridine-2,7-diamine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2NC2C=CC(N(C3=CCCC=C3)c3ccccc3)=CC21
InChIInChI=1S/C39H37N3/c1-39(2)35-27-33(41(29-15-7-3-8-16-29)30-17-9-4-10-18-30)23-25-37(35)40-38-26-24-34(28-36(38)39)42(31-19-11-5-12-20-31)32-21-13-6-14-22-32/h3-5,7-13,15-28,36,38,40H,6,14H2,1-2H3
InChIKeyDEYONXNJXUWUSU-UHFFFAOYSA-N
MW547.75 g/mol
LogP10.04
Rot. Bonds6

About 2-N-cyclohexa-1,5-dien-1-yl-9,9-dimethyl-2-N,7-N,7-N-triphenyl-9a,10-dihydro-4aH-acridine-2,7-diamine

2-N-cyclohexa-1,5-dien-1-yl-9,9-dimethyl-2-N,7-N,7-N-triphenyl-9a,10-dihydro-4aH-acridine-2,7-diamine (PubChem CID 156533410) has the molecular formula C39H37N3 and a molecular weight of 547.75 g/mol. Its IUPAC name is 2-N-cyclohexa-1,5-dien-1-yl-9,9-dimethyl-2-N,7-N,7-N-triphenyl-9a,10-dihydro-4aH-acridine-2,7-diamine.

Molecular Properties

Compound Name2-N-cyclohexa-1,5-dien-1-yl-9,9-dimethyl-2-N,7-N,7-N-triphenyl-9a,10-dihydro-4aH-acridine-2,7-diamine
PubChem CID156533410
Molecular FormulaC39H37N3
Molecular Weight547.75 g/mol
Exact Mass547.30
IUPAC Name2-N-cyclohexa-1,5-dien-1-yl-9,9-dimethyl-2-N,7-N,7-N-triphenyl-9a,10-dihydro-4aH-acridine-2,7-diamine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2NC2C=CC(N(C3=CCCC=C3)c3ccccc3)=CC21
InChIInChI=1S/C39H37N3/c1-39(2)35-27-33(41(29-15-7-3-8-16-29)30-17-9-4-10-18-30)23-25-37(35)40-38-26-24-34(28-36(38)39)42(31-19-11-5-12-20-31)32-21-13-6-14-22-32/h3-5,7-13,15-28,36,38,40H,6,14H2,1-2H3
InChIKeyDEYONXNJXUWUSU-UHFFFAOYSA-N
XLogP10.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.75
LogP ≤ 510.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-cyclohexa-1,5-dien-1-yl-9,9-dimethyl-2-N,7-N,7-N-triphenyl-9a,10-dihydro-4aH-acridine-2,7-diamine with MolForge

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Related Compounds

1-N-cyclohexa-1,5-dien-1-yl-1-N,4-N-diphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]benzene-1,4-diamine
CID 71017943
N-cyclohexa-1,5-dien-1-yl-4-[4-[N-cyclohexa-1,5-dien-1-yl-4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]anilino]phenyl]-N-phenylaniline
CID 139394363
N-[4-[4-[cyclohexa-1,5-dien-1-yl-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)amino]phenyl]phenyl]-8,8,14-trimethyl-N-phenyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,10-tetraen-5-amine
CID 144734094
N-cyclohexa-1,5-dien-1-yl-4-methyl-N-phenylaniline;ethane
CID 144615927
N-cyclohexa-1,5-dien-1-yl-N-phenyl-6-[(E)-2-[6-(N-phenylanilino)naphthalen-2-yl]ethenyl]naphthalen-2-amine
CID 145410466
1-N-cyclohexa-1,5-dien-1-yl-4-N-[4-[N-(5,6-dihydronaphthalen-2-yl)anilino]phenyl]-1-N-naphthalen-2-yl-4-N-[4-(N-naphthalen-2-ylanilino)phenyl]benzene-1,4-diamine
CID 167036999
9,9-dimethyl-N,N-diphenyl-7-[(E)-2-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]ethenyl]fluoren-2-amine
CID 129095683
N-[4-(3-cyclohexa-1,5-dien-1-ylphenyl)-3-phenylphenyl]-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)phenanthren-9-amine
CID 155416824
1-N-cyclohexa-1,5-dien-1-yl-4-N-[5,8-diphenyl-6,7-bis[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]naphthalen-2-yl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 163885983
N-cyclohexa-1,5-dien-1-yl-N-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;ethane
CID 145177184
1-N-cyclohexa-1,5-dien-1-yl-4-N-[4-[N-(7,8-dihydronaphthalen-2-yl)anilino]phenyl]-1-N-naphthalen-2-yl-4-N-[4-(N-naphthalen-2-ylanilino)phenyl]benzene-1,4-diamine
CID 89189824
7-(N-cyclohexa-1,5-dien-1-ylanilino)-9,9-dimethyl-3,4-dihydrofluorene-2-carbaldehyde
CID 89067073

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexa-1,5-dien-1-yl-9,9-dimethyl-2-N,7-N,7-N-triphenyl-9a,10-dihydro-4aH-acridine-2,7-diamine?
The IUPAC name of 2-N-cyclohexa-1,5-dien-1-yl-9,9-dimethyl-2-N,7-N,7-N-triphenyl-9a,10-dihydro-4aH-acridine-2,7-diamine (CID 156533410) is 2-N-cyclohexa-1,5-dien-1-yl-9,9-dimethyl-2-N,7-N,7-N-triphenyl-9a,10-dihydro-4aH-acridine-2,7-diamine.
What is the SMILES notation for 2-N-cyclohexa-1,5-dien-1-yl-9,9-dimethyl-2-N,7-N,7-N-triphenyl-9a,10-dihydro-4aH-acridine-2,7-diamine?
The canonical SMILES for 2-N-cyclohexa-1,5-dien-1-yl-9,9-dimethyl-2-N,7-N,7-N-triphenyl-9a,10-dihydro-4aH-acridine-2,7-diamine is CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2NC2C=CC(N(C3=CCCC=C3)c3ccccc3)=CC21.
What is the InChIKey of 2-N-cyclohexa-1,5-dien-1-yl-9,9-dimethyl-2-N,7-N,7-N-triphenyl-9a,10-dihydro-4aH-acridine-2,7-diamine?
The InChIKey is DEYONXNJXUWUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H37N3/c1-39(2)35-27-33(41(29-15-7-3-8-16-29)30-17-9-4-10-18-30)23-25-37(35)40-38-26-24-34(28-36(38)39)42(31-19-11-5-12-20-31)32-21-13-6-14-22-32/h3-5,7-13,15-28,36,38,40H,6,14H2,1-2H3.
What are the key properties of 2-N-cyclohexa-1,5-dien-1-yl-9,9-dimethyl-2-N,7-N,7-N-triphenyl-9a,10-dihydro-4aH-acridine-2,7-diamine?
2-N-cyclohexa-1,5-dien-1-yl-9,9-dimethyl-2-N,7-N,7-N-triphenyl-9a,10-dihydro-4aH-acridine-2,7-diamine has a molecular weight of 547.75 g/mol, XLogP of 10.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexa-1,5-dien-1-yl-9,9-dimethyl-2-N,7-N,7-N-triphenyl-9a,10-dihydro-4aH-acridine-2,7-diamine is sourced from PubChem (CID 156533410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).