9-(2-adamantylidene)-10-phenylacridine

C29H27N — CID 15314665

IUPAC9-(2-adamantylidene)-10-phenylacridine
SMILESc1ccc(N2c3ccccc3C(=C3C4CC5CC(C4)CC3C5)c3ccccc32)cc1
InChIInChI=1S/C29H27N/c1-2-8-23(9-3-1)30-26-12-6-4-10-24(26)29(25-11-5-7-13-27(25)30)28-21-15-19-14-20(17-21)18-22(28)16-19/h1-13,19-22H,14-18H2
InChIKeyVNNNYTMDKWGUCV-UHFFFAOYSA-N
MW389.54 g/mol
LogP7.73
Rot. Bonds1

About 9-(2-adamantylidene)-10-phenylacridine

9-(2-adamantylidene)-10-phenylacridine (PubChem CID 15314665) has the molecular formula C29H27N and a molecular weight of 389.54 g/mol. Its IUPAC name is 9-(2-adamantylidene)-10-phenylacridine.

Molecular Properties

Compound Name9-(2-adamantylidene)-10-phenylacridine
PubChem CID15314665
Molecular FormulaC29H27N
Molecular Weight389.54 g/mol
Exact Mass389.21
IUPAC Name9-(2-adamantylidene)-10-phenylacridine
SMILESc1ccc(N2c3ccccc3C(=C3C4CC5CC(C4)CC3C5)c3ccccc32)cc1
InChIInChI=1S/C29H27N/c1-2-8-23(9-3-1)30-26-12-6-4-10-24(26)29(25-11-5-7-13-27(25)30)28-21-15-19-14-20(17-21)18-22(28)16-19/h1-13,19-22H,14-18H2
InChIKeyVNNNYTMDKWGUCV-UHFFFAOYSA-N
XLogP7.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.54
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Acridan
CID 7106
9-Phenylacridan
CID 321720
N,N,N',N'-Tetraphenylbenzidine
CID 84981
[1,1'-Biphenyl]-4,4'-diamine, N4,N4'-diphenyl-N4,N4'-bis[4-(4-phenyl-1,3-butadien-1-yl)phenyl]-
CID 59920086
Pentaphenylmethylamine
CID 425021
10-Methyl-9,10-dihydroacridine
CID 5324693
10-Methyl-9-phenyl-9,10-dihydroacridine
CID 6426032
9,9-Diphenyl-9,10-dihydroacridine
CID 13293432
10-methyl-9-phenyl-9H-acridine-2,7-diamine
CID 49830922
5-(((1S,9aR)-octahydro-1H-quinolizin-1-yl)methyl)-5H-dibenzo[b,f]azepine
CID 54582247
10-(((1S,9aR)-octahydro-1H-quinolizin-1-yl)methyl)-9,10-dihydroacridine
CID 54583224
11-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5,6-dihydrobenzo[b][1]benzazepine
CID 54586102

Frequently Asked Questions

What is the IUPAC name of 9-(2-adamantylidene)-10-phenylacridine?
The IUPAC name of 9-(2-adamantylidene)-10-phenylacridine (CID 15314665) is 9-(2-adamantylidene)-10-phenylacridine.
What is the SMILES notation for 9-(2-adamantylidene)-10-phenylacridine?
The canonical SMILES for 9-(2-adamantylidene)-10-phenylacridine is c1ccc(N2c3ccccc3C(=C3C4CC5CC(C4)CC3C5)c3ccccc32)cc1.
What is the InChIKey of 9-(2-adamantylidene)-10-phenylacridine?
The InChIKey is VNNNYTMDKWGUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N/c1-2-8-23(9-3-1)30-26-12-6-4-10-24(26)29(25-11-5-7-13-27(25)30)28-21-15-19-14-20(17-21)18-22(28)16-19/h1-13,19-22H,14-18H2.
What are the key properties of 9-(2-adamantylidene)-10-phenylacridine?
9-(2-adamantylidene)-10-phenylacridine has a molecular weight of 389.54 g/mol, XLogP of 7.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-adamantylidene)-10-phenylacridine is sourced from PubChem (CID 15314665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).